CID 371269

Nsc645328

Structural Information

Molecular Formula
C27H18N2O3
SMILES
COC1=CC2=C(C=C1)NC3=C2C(=CC4=C3C(=O)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C27H18N2O3/c1-32-18-12-13-22-20(14-18)23-19(16-8-4-2-5-9-16)15-21-24(25(23)28-22)27(31)29(26(21)30)17-10-6-3-7-11-17/h2-15,28H,1H3
InChIKey
IZGXHTJXRTYOSU-UHFFFAOYSA-N
Compound name
7-methoxy-2,5-diphenyl-10H-pyrrolo[3,4-a]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.13174 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.13902 201.6
[M+Na]+ 441.12096 212.7
[M-H]- 417.12446 212.0
[M+NH4]+ 436.16556 214.7
[M+K]+ 457.09490 204.1
[M+H-H2O]+ 401.12900 191.8
[M+HCOO]- 463.12994 219.6
[M+CH3COO]- 477.14559 211.7
[M+Na-2H]- 439.10641 201.6
[M]+ 418.13119 204.7
[M]- 418.13229 204.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.