PubChemLite - Nsc353909 (C24H16N2O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=O)C2=C(N1)C3=C4C(=C2)C=CC5=C4C(=CC6=C5NC(=CC6=O)C)C=C3

InChI

InChI=1S/C24H16N2O2/c1-11-7-19(27)17-9-13-4-6-16-22-14(3-5-15(21(13)22)23(17)25-11)10-18-20(28)8-12(2)26-24(16)18/h3-10H,1-2H3,(H,25,27)(H,26,28)

InChIKey

PXGNNMKMMSGLNY-UHFFFAOYSA-N

Compound name

4,15-dimethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),4,8,10,12(24),13(18),15,19,21-decaene-6,17-dione

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]+	365.12848	189.3
[M+Na]+	387.11042	202.5
[M-H]-	363.11392	192.3
[M+NH4]+	382.15502	203.2
[M+K]+	403.08436	193.0
[M+H-H2O]+	347.11846	177.9
[M+HCOO]-	409.11940	202.4
[M+CH3COO]-	423.13505	198.9
[M+Na-2H]-	385.09587	198.6
[M]+	364.12065	193.9
[M]-	364.12175	193.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

365.12848

189.3

[M+Na]+

387.11042

202.5

[M-H]-

363.11392

192.3

[M+NH4]+

382.15502

203.2

[M+K]+

403.08436

193.0

[M+H-H2O]+

347.11846

177.9

[M+HCOO]-

409.11940

202.4

[M+CH3COO]-

423.13505

198.9

[M+Na-2H]-

385.09587

198.6

[M]+

364.12065

193.9

[M]-

364.12175

193.9

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

Nsc353909

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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