PubChemLite - Nsc602812 (C30H30N2O4)

Structural Information

Molecular Formula

SMILES

C1CCC2(CC1)C(=NC(=O)C3=CC=CC=C3)C(=O)C4(C25C(=O)OC(=N5)C6=CC=CC=C6)CCCCC4

InChI

InChI=1S/C30H30N2O4/c33-24-23(31-25(34)21-13-5-1-6-14-21)28(17-9-3-10-18-28)30(29(24)19-11-4-12-20-29)27(35)36-26(32-30)22-15-7-2-8-16-22/h1-2,5-8,13-16H,3-4,9-12,17-20H2

InChIKey

AHZUHPIPRNAPTQ-UHFFFAOYSA-N

Compound name

N-(1,12-dioxo-3-phenyl-2-oxa-4-azatrispiro[4.0.56.2.514.05]nonadec-3-en-13-ylidene)benzamide

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]+	483.22783	219.0
[M+Na]+	505.20977	222.7
[M-H]-	481.21327	233.7
[M+NH4]+	500.25437	232.5
[M+K]+	521.18371	217.8
[M+H-H2O]+	465.21781	206.9
[M+HCOO]-	527.21875	232.1
[M+CH3COO]-	541.23440	225.8
[M+Na-2H]-	503.19522	215.4
[M]+	482.22000	210.7
[M]-	482.22110	210.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.22783

219.0

[M+Na]+

505.20977

222.7

[M-H]-

481.21327

233.7

[M+NH4]+

500.25437

232.5

[M+K]+

521.18371

217.8

[M+H-H2O]+

465.21781

206.9

[M+HCOO]-

527.21875

232.1

[M+CH3COO]-

541.23440

225.8

[M+Na-2H]-

503.19522

215.4

[M]+

482.22000

210.7

[M]-

482.22110

210.7

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

Nsc602812

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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