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]+ 327.14516 172.7
[M+Na]+ 349.12710 180.3
[M-H]- 325.13060 176.0
[M+NH4]+ 344.17170 184.9
[M+K]+ 365.10104 174.3
[M+H-H2O]+ 309.13514 163.7
[M+HCOO]- 371.13608 194.5
[M+CH3COO]- 385.15173 207.0
[M+Na-2H]- 347.11255 177.9
[M]+ 326.13733 173.1
[M]- 326.13843 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.