CID 380390

Nsc665907

Structural Information

Molecular Formula
C25H21N3O2
SMILES
CN1C2=CC=CC=C2C3=CC(=C4C(=C31)C(=O)N(C4=O)C5=CC=CC=C5)N6CCCC6
InChI
InChI=1S/C25H21N3O2/c1-26-19-12-6-5-11-17(19)18-15-20(27-13-7-8-14-27)21-22(23(18)26)25(30)28(24(21)29)16-9-3-2-4-10-16/h2-6,9-12,15H,7-8,13-14H2,1H3
InChIKey
CEGNVJCRFJMKDK-UHFFFAOYSA-N
Compound name
10-methyl-2-phenyl-4-pyrrolidin-1-ylpyrrolo[3,4-a]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1634 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.17068 196.7
[M+Na]+ 418.15262 207.2
[M-H]- 394.15612 207.1
[M+NH4]+ 413.19722 212.1
[M+K]+ 434.12656 199.5
[M+H-H2O]+ 378.16066 187.6
[M+HCOO]- 440.16160 213.7
[M+CH3COO]- 454.17725 207.0
[M+Na-2H]- 416.13807 192.4
[M]+ 395.16285 198.4
[M]- 395.16395 198.4
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.