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 183.6
[M+Na]+ 368.20568 188.2
[M-H]- 344.20918 188.7
[M+NH4]+ 363.25028 196.8
[M+K]+ 384.17962 180.9
[M+H-H2O]+ 328.21372 177.9
[M+HCOO]- 390.21466 205.0
[M+CH3COO]- 404.23031 213.2
[M+Na-2H]- 366.19113 186.2
[M]+ 345.21591 184.5
[M]- 345.21701 184.5
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.