PubChemLite - Schembl7686823 (C26H22N4O7)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C(=C1)C(=O)NNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)C3=CC(=O)C4=C(N3)C(=CC=C4)O)O

InChI

InChI=1S/C26H22N4O7/c31-15-10-8-14(9-11-15)12-18(26(37)30-29-24(35)17-4-1-2-6-20(17)32)28-25(36)19-13-22(34)16-5-3-7-21(33)23(16)27-19/h1-11,13,18,31-33H,12H2,(H,27,34)(H,28,36)(H,29,35)(H,30,37)/t18-/m0/s1

InChIKey

BUTKDTNLCJLLIW-SFHVURJKSA-N

Compound name

8-hydroxy-N-[(2S)-1-[2-(2-hydroxybenzoyl)hydrazinyl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-oxo-1H-quinoline-2-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	503.15611	211.9
[M+Na]+	525.13805	213.8
[M-H]-	501.14155	216.0
[M+NH4]+	520.18265	213.2
[M+K]+	541.11199	210.4
[M+H-H2O]+	485.14609	201.2
[M+HCOO]-	547.14703	226.4
[M+CH3COO]-	561.16268	242.7
[M+Na-2H]-	523.12350	213.0
[M]+	502.14828	208.9
[M]-	502.14938	208.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.15611

211.9

[M+Na]+

525.13805

213.8

[M-H]-

501.14155

216.0

[M+NH4]+

520.18265

213.2

[M+K]+

541.11199

210.4

[M+H-H2O]+

485.14609

201.2

[M+HCOO]-

547.14703

226.4

[M+CH3COO]-

561.16268

242.7

[M+Na-2H]-

523.12350

213.0

[M]+

502.14828

208.9

[M]-

502.14938

208.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Schembl7686823

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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