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]+ 360.239396 187.3
[M+Na]+ 382.221338 190.6
[M-H]- 358.224844 191.3
[M+NH4]+ 377.265943 197.8
[M+K]+ 398.195278 182.7
[M+H-H2O]+ 342.229380 180.6
[M+HCOO]- 404.230321 206.0
[M+CH3COO]- 418.245971 216.4
[M+Na-2H]- 380.206786 190.9
[M]+ 359.23157142 186.2
[M]- 359.23266858 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.