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

14
Patents

262.14297 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15025 161.3
[M+Na]+ 285.13219 169.4
[M-H]- 261.13569 162.3
[M+NH4]+ 280.17679 177.2
[M+K]+ 301.10613 165.8
[M+H-H2O]+ 245.14023 154.1
[M+HCOO]- 307.14117 182.0
[M+CH3COO]- 321.15682 197.6
[M+Na-2H]- 283.11764 166.9
[M]+ 262.14242 161.9
[M]- 262.14352 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