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 167.6
[M+Na]+ 320.10055 180.7
[M+NH4]+ 315.14515 174.2
[M+K]+ 336.07449 176.0
[M-H]- 296.10405 170.2
[M+Na-2H]- 318.08600 175.0
[M]+ 297.11078 170.0
[M]- 297.11188 170.0
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