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

2
Patents

297.11133 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 165.8
[M+Na]+ 320.10055 174.0
[M-H]- 296.10405 170.1
[M+NH4]+ 315.14515 180.0
[M+K]+ 336.07449 169.5
[M+H-H2O]+ 280.10859 156.7
[M+HCOO]- 342.10953 188.2
[M+CH3COO]- 356.12518 177.1
[M+Na-2H]- 318.08600 171.9
[M]+ 297.11078 168.6
[M]- 297.11188 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