CID 165939559

2089585-16-8

Structural Information

Molecular Formula
C12H14BrN3O2
SMILES
CC(C)(C)OC(=O)NC1=NC2=C(N1)C=C(C=C2)Br
InChI
InChI=1S/C12H14BrN3O2/c1-12(2,3)18-11(17)16-10-14-8-5-4-7(13)6-9(8)15-10/h4-6H,1-3H3,(H2,14,15,16,17)
InChIKey
FONZRYYPPLZCCT-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-bromo-1H-benzimidazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.02695 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.03423 163.7
[M+Na]+ 334.01617 175.8
[M-H]- 310.01967 167.9
[M+NH4]+ 329.06077 182.0
[M+K]+ 349.99011 164.1
[M+H-H2O]+ 294.02421 162.8
[M+HCOO]- 356.02515 182.0
[M+CH3COO]- 370.04080 199.3
[M+Na-2H]- 332.00162 170.9
[M]+ 311.02640 184.0
[M]- 311.02750 184.0
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

No patent data available for this compound.