CID 28785

Benzimidazole, 1-(3-dimethylaminopropyl)-5-nitro-2-(pyrrolidin-1-yl)ethyl-, hydrochloride

Structural Information

Molecular Formula
C18H27N5O2
SMILES
CN(C)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CCN3CCCC3
InChI
InChI=1S/C18H27N5O2/c1-20(2)9-5-12-22-17-7-6-15(23(24)25)14-16(17)19-18(22)8-13-21-10-3-4-11-21/h6-7,14H,3-5,8-13H2,1-2H3
InChIKey
GGNACQZWWXXBSL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[5-nitro-2-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.21646 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.22374 180.5
[M+Na]+ 368.20568 191.2
[M+NH4]+ 363.25028 186.9
[M+K]+ 384.17962 191.0
[M-H]- 344.20918 184.2
[M+Na-2H]- 366.19113 184.9
[M]+ 345.21591 182.6
[M]- 345.21701 182.6
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.