CID 5277383

Ethyl n-[7-(benzylamino)-2-hydroxy-1h-benzimidazol-5-yl]carbamate

Structural Information

Molecular Formula
C17H18N4O3
SMILES
CCOC(=O)NC1=CC2=C(C(=C1)NCC3=CC=CC=C3)NC(=O)N2
InChI
InChI=1S/C17H18N4O3/c1-2-24-17(23)19-12-8-13(15-14(9-12)20-16(22)21-15)18-10-11-6-4-3-5-7-11/h3-9,18H,2,10H2,1H3,(H,19,23)(H2,20,21,22)
InChIKey
HWGWKZHERKRTLA-UHFFFAOYSA-N
Compound name
ethyl N-[7-(benzylamino)-2-oxo-1,3-dihydrobenzimidazol-5-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.13788 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.145156 172.7
[M+Na]+ 349.127098 180.3
[M-H]- 325.130604 176.0
[M+NH4]+ 344.171703 184.9
[M+K]+ 365.101038 174.3
[M+H-H2O]+ 309.135140 163.7
[M+HCOO]- 371.136081 194.5
[M+CH3COO]- 385.151731 207.0
[M+Na-2H]- 347.112546 177.9
[M]+ 326.13733142 173.1
[M]- 326.13842858 173.1
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.