CID 5471214

Nsc709476

Structural Information

Molecular Formula
C23H18N2O2S
SMILES
CC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)/C=C/C4=CC=CS4
InChI
InChI=1S/C23H18N2O2S/c1-16-8-10-17(11-9-16)22(27)15-25-20-7-3-2-6-19(20)24-23(25)21(26)13-12-18-5-4-14-28-18/h2-14H,15H2,1H3/b13-12+
InChIKey
NJMCVXJOTKMQFD-OUKQBFOZSA-N
Compound name
(E)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]-3-thiophen-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.1089 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.11618 195.1
[M+Na]+ 409.09812 204.8
[M-H]- 385.10162 204.6
[M+NH4]+ 404.14272 209.1
[M+K]+ 425.07206 198.0
[M+H-H2O]+ 369.10616 187.0
[M+HCOO]- 431.10710 212.3
[M+CH3COO]- 445.12275 205.8
[M+Na-2H]- 407.08357 192.0
[M]+ 386.10835 200.9
[M]- 386.10945 200.9
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.