CID 29798

Benzimidazole, 1-(3-(dimethylamino)propyl)-5-nitro-2-(2-piperidinoethyl)-, hydrochloride

Structural Information

Molecular Formula
C19H29N5O2
SMILES
CN(C)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CCN3CCCCC3
InChI
InChI=1S/C19H29N5O2/c1-21(2)10-6-13-23-18-8-7-16(24(25)26)15-17(18)20-19(23)9-14-22-11-4-3-5-12-22/h7-8,15H,3-6,9-14H2,1-2H3
InChIKey
NBKWQZIMMAIXMI-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[5-nitro-2-(2-piperidin-1-ylethyl)benzimidazol-1-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.23212 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.23940 187.3
[M+Na]+ 382.22134 190.6
[M-H]- 358.22484 191.3
[M+NH4]+ 377.26594 197.8
[M+K]+ 398.19528 182.7
[M+H-H2O]+ 342.22938 180.6
[M+HCOO]- 404.23032 206.0
[M+CH3COO]- 418.24597 216.4
[M+Na-2H]- 380.20679 190.9
[M]+ 359.23157 186.2
[M]- 359.23267 186.2
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.