PubChemLite - Nsc143978 (C24H14N2O7)

Structural Information

Molecular Formula

SMILES

CC(=O)N1C2=CC=CC3=C2C(=C4C(C35C6=CC=CC=C6N(C5=O)C(=O)C)C(=O)OC4=O)C1=O

InChI

InChI=1S/C24H14N2O7/c1-10(27)25-15-9-5-7-13-16(15)17(20(25)29)18-19(22(31)33-21(18)30)24(13)12-6-3-4-8-14(12)26(11(2)28)23(24)32/h3-9,19H,1-2H3

InChIKey

UUAZDPSHVKNFFN-UHFFFAOYSA-N

Compound name

1',13-diacetylspiro[4-oxa-13-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1,8(15),9,11-tetraene-7,3'-indole]-2',3,5,14-tetrone

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]+	443.08738	198.4
[M+Na]+	465.06932	209.5
[M-H]-	441.07282	207.0
[M+NH4]+	460.11392	215.4
[M+K]+	481.04326	205.8
[M+H-H2O]+	425.07736	193.7
[M+HCOO]-	487.07830	210.6
[M+CH3COO]-	501.09395	208.8
[M+Na-2H]-	463.05477	195.1
[M]+	442.07955	205.0
[M]-	442.08065	205.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.08738

198.4

[M+Na]+

465.06932

209.5

[M-H]-

441.07282

207.0

[M+NH4]+

460.11392

215.4

[M+K]+

481.04326

205.8

[M+H-H2O]+

425.07736

193.7

[M+HCOO]-

487.07830

210.6

[M+CH3COO]-

501.09395

208.8

[M+Na-2H]-

463.05477

195.1

[M]+

442.07955

205.0

[M]-

442.08065

205.0

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

Nsc143978

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe