CID 81938419

1551876-08-4

Structural Information

Molecular Formula
C14H15BrN2
SMILES
C1CCC2=C(C1)N=CN2CC3=CC=C(C=C3)Br
InChI
InChI=1S/C14H15BrN2/c15-12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17/h5-8,10H,1-4,9H2
InChIKey
CWUVSOQUUJWXGJ-UHFFFAOYSA-N
Compound name
1-[(4-bromophenyl)methyl]-4,5,6,7-tetrahydrobenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.04187 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.04915 162.7
[M+Na]+ 313.03109 167.1
[M+NH4]+ 308.07569 168.5
[M+K]+ 329.00503 166.3
[M-H]- 289.03459 165.0
[M+Na-2H]- 311.01654 166.7
[M]+ 290.04132 162.9
[M]- 290.04242 162.9
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

No patent data available for this compound.