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]+ 325.165906 174.1
[M+Na]+ 347.147848 180.7
[M-H]- 323.151354 178.1
[M+NH4]+ 342.192453 186.9
[M+K]+ 363.121788 175.1
[M+H-H2O]+ 307.155890 164.5
[M+HCOO]- 369.156831 196.7
[M+CH3COO]- 383.172481 209.3
[M+Na-2H]- 345.133296 179.9
[M]+ 324.15808142 175.5
[M]- 324.15917858 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.