CID 29792

Benzimidazole, 1-(2-diethylaminoethyl)-2-(2-morpholinoethyl)-5-nitro-, hydrochloride

Structural Information

Molecular Formula
C19H29N5O3
SMILES
CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CCN3CCOCC3
InChI
InChI=1S/C19H29N5O3/c1-3-21(4-2)9-10-23-18-6-5-16(24(25)26)15-17(18)20-19(23)7-8-22-11-13-27-14-12-22/h5-6,15H,3-4,7-14H2,1-2H3
InChIKey
CKIJTNPCJIUVAC-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-(2-morpholin-4-ylethyl)-5-nitrobenzimidazol-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.22705 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.234326 191.5
[M+Na]+ 398.216268 194.8
[M-H]- 374.219774 196.2
[M+NH4]+ 393.260873 200.1
[M+K]+ 414.190208 188.3
[M+H-H2O]+ 358.224310 184.8
[M+HCOO]- 420.225251 209.5
[M+CH3COO]- 434.240901 218.7
[M+Na-2H]- 396.201716 195.7
[M]+ 375.22650142 192.4
[M]- 375.22759858 192.4
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.