CID 29800

2-benzyl-1-(3-dimethylaminopropyl)-5-nitrobenzimidazole hydrochloride

Structural Information

Molecular Formula
C19H22N4O2
SMILES
CN(C)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=CC=C3
InChI
InChI=1S/C19H22N4O2/c1-21(2)11-6-12-22-18-10-9-16(23(24)25)14-17(18)20-19(22)13-15-7-4-3-5-8-15/h3-5,7-10,14H,6,11-13H2,1-2H3
InChIKey
XOTBIOBWXABAMI-UHFFFAOYSA-N
Compound name
3-(2-benzyl-5-nitrobenzimidazol-1-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1743 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18158 178.7
[M+Na]+ 361.16352 193.3
[M+NH4]+ 356.20812 186.3
[M+K]+ 377.13746 189.7
[M-H]- 337.16702 184.5
[M+Na-2H]- 359.14897 186.7
[M]+ 338.17375 182.4
[M]- 338.17485 182.4
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.