CID 135429950

Nsc624432

Structural Information

Molecular Formula
C32H22N4O4
SMILES
CC(=O)NC1=CC=C(C=C1)/C=C(/C2=NC3=C(N2)C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)\NC(=O)C6=CC=CC=C6
InChI
InChI=1S/C32H22N4O4/c1-18(37)33-21-13-11-19(12-14-21)17-26(35-32(40)20-7-3-2-4-8-20)31-34-25-16-15-24-27(28(25)36-31)30(39)23-10-6-5-9-22(23)29(24)38/h2-17H,1H3,(H,33,37)(H,34,36)(H,35,40)/b26-17-
InChIKey
OQDKQQIJHWYULB-ONUIUJJFSA-N
Compound name
N-[(Z)-2-(4-acetamidophenyl)-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

526.1641 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.17138 223.5
[M+Na]+ 549.15332 228.7
[M-H]- 525.15682 231.9
[M+NH4]+ 544.19792 228.3
[M+K]+ 565.12726 221.0
[M+H-H2O]+ 509.16136 211.6
[M+HCOO]- 571.16230 238.2
[M+CH3COO]- 585.17795 229.2
[M+Na-2H]- 547.13877 224.7
[M]+ 526.16355 222.9
[M]- 526.16465 222.9
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.