CID 376313

Nsc657027

Structural Information

Molecular Formula
C23H14N2O4
SMILES
C1=CC=C2C(=C1)C3=C(N2CC4=CC=C(C=C4)[N+](=O)[O-])C5=C(C=C3)C(=O)C=CC5=O
InChI
InChI=1S/C23H14N2O4/c26-20-11-12-21(27)22-18(20)10-9-17-16-3-1-2-4-19(16)24(23(17)22)13-14-5-7-15(8-6-14)25(28)29/h1-12H,13H2
InChIKey
NFFMOEIJKKYUAA-UHFFFAOYSA-N
Compound name
11-[(4-nitrophenyl)methyl]benzo[a]carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.09537 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.10265 189.2
[M+Na]+ 405.08459 197.8
[M-H]- 381.08809 198.0
[M+NH4]+ 400.12919 202.7
[M+K]+ 421.05853 187.1
[M+H-H2O]+ 365.09263 183.5
[M+HCOO]- 427.09357 209.7
[M+CH3COO]- 441.10922 216.2
[M+Na-2H]- 403.07004 195.6
[M]+ 382.09482 190.5
[M]- 382.09592 190.5
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.