PubChemLite - 153072-33-4 (C26H19N5O3)

Structural Information

Molecular Formula

SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2OC4=CC=C(C=C4)C5=CC=CC=C5C6=NNN=N6)C(=O)O

InChI

InChI=1S/C26H19N5O3/c32-26(33)22-20-7-3-4-8-21(20)27-23(16-9-10-16)24(22)34-17-13-11-15(12-14-17)18-5-1-2-6-19(18)25-28-30-31-29-25/h1-8,11-14,16H,9-10H2,(H,32,33)(H,28,29,30,31)

InChIKey

UVTFLTXWSSGYFE-UHFFFAOYSA-N

Compound name

2-cyclopropyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]quinoline-4-carboxylic acid

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]+	450.15608	212.8
[M+Na]+	472.13802	222.9
[M-H]-	448.14152	221.0
[M+NH4]+	467.18262	210.9
[M+K]+	488.11196	212.4
[M+H-H2O]+	432.14606	200.7
[M+HCOO]-	494.14700	227.8
[M+CH3COO]-	508.16265	219.1
[M+Na-2H]-	470.12347	214.0
[M]+	449.14825	215.1
[M]-	449.14935	215.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

450.15608

212.8

[M+Na]+

472.13802

222.9

[M-H]-

448.14152

221.0

[M+NH4]+

467.18262

210.9

[M+K]+

488.11196

212.4

[M+H-H2O]+

432.14606

200.7

[M+HCOO]-

494.14700

227.8

[M+CH3COO]-

508.16265

219.1

[M+Na-2H]-

470.12347

214.0

[M]+

449.14825

215.1

[M]-

449.14935

215.1

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

153072-33-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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