CID 135429947

Nsc624417

Structural Information

Molecular Formula
C31H20N4O5
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C(/C3=NC4=C(N3)C5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)\NC(=O)C7=CC=C(C=C7)N
InChI
InChI=1S/C31H20N4O5/c32-18-8-6-17(7-9-18)31(38)34-23(13-16-5-12-24-25(14-16)40-15-39-24)30-33-22-11-10-21-26(27(22)35-30)29(37)20-4-2-1-3-19(20)28(21)36/h1-14H,15,32H2,(H,33,35)(H,34,38)/b23-13-
InChIKey
SBWPVXKDOABSES-QRVIBDJDSA-N
Compound name
4-amino-N-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.1434 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.15068 219.4
[M+Na]+ 551.13262 226.3
[M-H]- 527.13612 230.6
[M+NH4]+ 546.17722 224.5
[M+K]+ 567.10656 221.5
[M+H-H2O]+ 511.14066 209.7
[M+HCOO]- 573.14160 232.1
[M+CH3COO]- 587.15725 226.2
[M+Na-2H]- 549.11807 219.3
[M]+ 528.14285 220.7
[M]- 528.14395 220.7
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.