CID 5387516

Nsc624418

Structural Information

Molecular Formula
C30H18N4O5
SMILES
C1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C3=NC4=C(N3)C=CC5=C4C(=O)C6=CC=CC=C6C5=O
InChI
InChI=1S/C30H18N4O5/c35-27-20-11-4-5-12-21(20)28(36)25-22(27)13-14-23-26(25)33-29(31-23)24(32-30(37)18-8-2-1-3-9-18)16-17-7-6-10-19(15-17)34(38)39/h1-16H,(H,31,33)(H,32,37)/b24-16-
InChIKey
YFWKBDJRGLXKSU-JLPGSUDCSA-N
Compound name
N-[(Z)-1-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.12775 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.13503 217.3
[M+Na]+ 537.11697 220.9
[M-H]- 513.12047 225.6
[M+NH4]+ 532.16157 221.4
[M+K]+ 553.09091 209.5
[M+H-H2O]+ 497.12501 209.1
[M+HCOO]- 559.12595 232.7
[M+CH3COO]- 573.14160 239.2
[M+Na-2H]- 535.10242 222.1
[M]+ 514.12720 214.7
[M]- 514.12830 214.7
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.