CID 90052475

1472803-03-4

Structural Information

Molecular Formula
C13H18N4O2
SMILES
CC(C)(C)OC(=O)NCC1=NC2=C(N1)C=C(C=C2)N
InChI
InChI=1S/C13H18N4O2/c1-13(2,3)19-12(18)15-7-11-16-9-5-4-8(14)6-10(9)17-11/h4-6H,7,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
FUIZTCPCDFYAQS-UHFFFAOYSA-N
Compound name
tert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

262.14297 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.150246 161.3
[M+Na]+ 285.132188 169.4
[M-H]- 261.135694 162.3
[M+NH4]+ 280.176793 177.2
[M+K]+ 301.106128 165.8
[M+H-H2O]+ 245.140230 154.1
[M+HCOO]- 307.141171 182.0
[M+CH3COO]- 321.156821 197.6
[M+Na-2H]- 283.117636 166.9
[M]+ 262.14242142 161.9
[M]- 262.14351858 161.9
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