CID 364262

Nsc630261

Structural Information

Molecular Formula
C26H15ClN2O2
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)Cl
InChI
InChI=1S/C26H15ClN2O2/c27-16-10-12-18(13-11-16)29-25(30)21-15-14-20-19-8-4-5-9-22(19)28(17-6-2-1-3-7-17)24(20)23(21)26(29)31/h1-15H
InChIKey
WSIPNSVBXFVYBW-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-10-phenylpyrrolo[3,4-a]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.0822 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.08948 204.0
[M+Na]+ 445.07142 217.2
[M-H]- 421.07492 215.3
[M+NH4]+ 440.11602 218.6
[M+K]+ 461.04536 207.5
[M+H-H2O]+ 405.07946 193.9
[M+HCOO]- 467.08040 219.0
[M+CH3COO]- 481.09605 214.7
[M+Na-2H]- 443.05687 203.7
[M]+ 422.08165 209.5
[M]- 422.08275 209.5
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.