CID 5387535

Nsc624439

Structural Information

Molecular Formula
C25H16N4O5
SMILES
CC(=O)N/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C2=NC3=C(N2)C=CC4=C3C(=O)C5=CC=CC=C5C4=O
InChI
InChI=1S/C25H16N4O5/c1-13(30)26-20(12-14-5-4-6-15(11-14)29(33)34)25-27-19-10-9-18-21(22(19)28-25)24(32)17-8-3-2-7-16(17)23(18)31/h2-12H,1H3,(H,26,30)(H,27,28)/b20-12-
InChIKey
BBUHAKBQKCORDR-NDENLUEZSA-N
Compound name
N-[(Z)-1-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.11206 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.11934 202.5
[M+Na]+ 475.10128 208.1
[M-H]- 451.10478 208.5
[M+NH4]+ 470.14588 210.3
[M+K]+ 491.07522 197.4
[M+H-H2O]+ 435.10932 196.6
[M+HCOO]- 497.11026 219.0
[M+CH3COO]- 511.12591 228.3
[M+Na-2H]- 473.08673 207.8
[M]+ 452.11151 201.3
[M]- 452.11261 201.3
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.