CID 3041418

54029-21-9

Structural Information

Molecular Formula
C16H15N3O3
SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C16H15N3O3/c1-21-16(20)19-15-17-13-8-7-12(9-14(13)18-15)22-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,17,18,19,20)
InChIKey
XVPRZCQQEOPOEX-UHFFFAOYSA-N
Compound name
methyl N-(6-phenylmethoxy-1H-benzimidazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

297.11133 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.118606 165.8
[M+Na]+ 320.100548 174.0
[M-H]- 296.104054 170.1
[M+NH4]+ 315.145153 180.0
[M+K]+ 336.074488 169.5
[M+H-H2O]+ 280.108590 156.7
[M+HCOO]- 342.109531 188.2
[M+CH3COO]- 356.125181 177.1
[M+Na-2H]- 318.085996 171.9
[M]+ 297.11078142 168.6
[M]- 297.11187858 168.6
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

patents stripe