CID 29794

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

Structural Information

Molecular Formula
C19H29N5O2
SMILES
CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CCN3CCCC3
InChI
InChI=1S/C19H29N5O2/c1-3-21(4-2)13-14-23-18-8-7-16(24(25)26)15-17(18)20-19(23)9-12-22-10-5-6-11-22/h7-8,15H,3-6,9-14H2,1-2H3
InChIKey
ZXGSQGBIWPWWFL-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[5-nitro-2-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]ethanamine
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 188.3
[M+Na]+ 382.22134 192.3
[M-H]- 358.22484 193.1
[M+NH4]+ 377.26594 200.8
[M+K]+ 398.19528 184.8
[M+H-H2O]+ 342.22938 182.4
[M+HCOO]- 404.23032 209.3
[M+CH3COO]- 418.24597 216.1
[M+Na-2H]- 380.20679 190.3
[M]+ 359.23157 189.4
[M]- 359.23267 189.4
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.