CID 5277387

Ethyl n-[7-(phenethylamino)-3h-benzimidazol-5-yl]carbamate

Structural Information

Molecular Formula
C18H20N4O2
SMILES
CCOC(=O)NC1=CC2=C(C(=C1)NCCC3=CC=CC=C3)N=CN2
InChI
InChI=1S/C18H20N4O2/c1-2-24-18(23)22-14-10-15(17-16(11-14)20-12-21-17)19-9-8-13-6-4-3-5-7-13/h3-7,10-12,19H,2,8-9H2,1H3,(H,20,21)(H,22,23)
InChIKey
ZFJLKHSFPHJBTO-UHFFFAOYSA-N
Compound name
ethyl N-[7-(2-phenylethylamino)-3H-benzimidazol-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.15863 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16591 174.1
[M+Na]+ 347.14785 180.7
[M-H]- 323.15135 178.1
[M+NH4]+ 342.19245 186.9
[M+K]+ 363.12179 175.1
[M+H-H2O]+ 307.15589 164.5
[M+HCOO]- 369.15683 196.7
[M+CH3COO]- 383.17248 209.3
[M+Na-2H]- 345.13330 179.9
[M]+ 324.15808 175.5
[M]- 324.15918 175.5
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.