CID 371270

Nsc645329

Structural Information

Molecular Formula
C27H18N2O2
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)N(C5=O)C6=CC=CC=C6
InChI
InChI=1S/C27H18N2O2/c30-26-22-16-15-21-20-13-7-8-14-23(20)28(17-18-9-3-1-4-10-18)25(21)24(22)27(31)29(26)19-11-5-2-6-12-19/h1-16H,17H2
InChIKey
RXDUZIWQGWYXFL-UHFFFAOYSA-N
Compound name
10-benzyl-2-phenylpyrrolo[3,4-a]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.13684 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.14412 198.9
[M+Na]+ 425.12606 209.9
[M-H]- 401.12956 210.0
[M+NH4]+ 420.17066 213.1
[M+K]+ 441.10000 201.0
[M+H-H2O]+ 385.13410 188.4
[M+HCOO]- 447.13504 218.2
[M+CH3COO]- 461.15069 209.3
[M+Na-2H]- 423.11151 199.4
[M]+ 402.13629 201.8
[M]- 402.13739 201.8
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.