CID 5387469

N-(2-(4-(dimethylamino)phenyl)-1-(6,11-dioxo-6,11-dihydro-3h-anthra[1,2-d]imidazol-2-yl)vinyl)benzamide

Structural Information

Molecular Formula
C32H24N4O3
SMILES
CN(C)C1=CC=C(C=C1)/C=C(/C2=NC3=C(N2)C=CC4=C3C(=O)C5=CC=CC=C5C4=O)\NC(=O)C6=CC=CC=C6
InChI
InChI=1S/C32H24N4O3/c1-36(2)21-14-12-19(13-15-21)18-26(34-32(39)20-8-4-3-5-9-20)31-33-25-17-16-24-27(28(25)35-31)30(38)23-11-7-6-10-22(23)29(24)37/h3-18H,1-2H3,(H,33,35)(H,34,39)/b26-18-
InChIKey
AWGCIRNDWWXCLV-ITYLOYPMSA-N
Compound name
N-[(Z)-2-[4-(dimethylamino)phenyl]-1-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.1848 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.19208 223.1
[M+Na]+ 535.17402 228.7
[M-H]- 511.17752 232.6
[M+NH4]+ 530.21862 229.3
[M+K]+ 551.14796 221.1
[M+H-H2O]+ 495.18206 210.7
[M+HCOO]- 557.18300 238.9
[M+CH3COO]- 571.19865 229.4
[M+Na-2H]- 533.15947 224.1
[M]+ 512.18425 223.5
[M]- 512.18535 223.5
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.