CID 29800

19809-18-8

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]+ 339.181576 180.8
[M+Na]+ 361.163518 187.2
[M-H]- 337.167024 187.4
[M+NH4]+ 356.208123 193.8
[M+K]+ 377.137458 178.8
[M+H-H2O]+ 321.171560 175.0
[M+HCOO]- 383.172501 205.1
[M+CH3COO]- 397.188151 212.7
[M+Na-2H]- 359.148966 186.9
[M]+ 338.17375142 183.6
[M]- 338.17484858 183.6
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.