CID 378583

Nsc661223

Structural Information

Molecular Formula
C22H12N2O4
SMILES
C1=CC=C2C(=C1)C3=C(N2C4=CC(=CC=C4)[N+](=O)[O-])C5=C(C=C3)C(=O)C=CC5=O
InChI
InChI=1S/C22H12N2O4/c25-19-10-11-20(26)21-17(19)9-8-16-15-6-1-2-7-18(15)23(22(16)21)13-4-3-5-14(12-13)24(27)28/h1-12H
InChIKey
YVNATEYMHZWDEJ-UHFFFAOYSA-N
Compound name
11-(3-nitrophenyl)benzo[a]carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0797 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.08698 184.3
[M+Na]+ 391.06892 193.5
[M-H]- 367.07242 193.4
[M+NH4]+ 386.11352 198.5
[M+K]+ 407.04286 183.0
[M+H-H2O]+ 351.07696 178.9
[M+HCOO]- 413.07790 205.2
[M+CH3COO]- 427.09355 213.3
[M+Na-2H]- 389.05437 191.3
[M]+ 368.07915 185.4
[M]- 368.08025 185.4
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.