CID 5274469

Ethyl 1-benzyl-2-[4-(diethylaminocarbamoyl)phenyl]benzimidazole-5-carboxylate

Structural Information

Molecular Formula
C28H30N4O3
SMILES
CCN(CC)NC(=O)C1=CC=C(C=C1)C2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(=O)OCC
InChI
InChI=1S/C28H30N4O3/c1-4-31(5-2)30-27(33)22-14-12-21(13-15-22)26-29-24-18-23(28(34)35-6-3)16-17-25(24)32(26)19-20-10-8-7-9-11-20/h7-18H,4-6,19H2,1-3H3,(H,30,33)
InChIKey
IJJLEZWOWLOIIP-UHFFFAOYSA-N
Compound name
ethyl 1-benzyl-2-[4-(diethylaminocarbamoyl)phenyl]benzimidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

470.23178 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.23906 217.4
[M+Na]+ 493.22100 222.3
[M-H]- 469.22450 226.7
[M+NH4]+ 488.26560 224.8
[M+K]+ 509.19494 217.3
[M+H-H2O]+ 453.22904 205.1
[M+HCOO]- 515.22998 238.6
[M+CH3COO]- 529.24563 244.8
[M+Na-2H]- 491.20645 217.3
[M]+ 470.23123 223.1
[M]- 470.23233 223.1
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.