CID 11448004

189560-83-6

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CC(C)(C)OC(=O)NCC1=NC2=CC=CC=C2N1
InChI
InChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)14-8-11-15-9-6-4-5-7-10(9)16-11/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
WRAOGDJKTDDORV-UHFFFAOYSA-N
Compound name
tert-butyl N-(1H-benzimidazol-2-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

247.13208 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13936 157.7
[M+Na]+ 270.12130 165.9
[M-H]- 246.12480 158.8
[M+NH4]+ 265.16590 174.6
[M+K]+ 286.09524 162.5
[M+H-H2O]+ 230.12934 150.6
[M+HCOO]- 292.13028 178.0
[M+CH3COO]- 306.14593 191.7
[M+Na-2H]- 268.10675 164.4
[M]+ 247.13153 159.7
[M]- 247.13263 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe