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]+ 376.23433 191.5
[M+Na]+ 398.21627 194.8
[M-H]- 374.21977 196.2
[M+NH4]+ 393.26087 200.1
[M+K]+ 414.19021 188.3
[M+H-H2O]+ 358.22431 184.8
[M+HCOO]- 420.22525 209.5
[M+CH3COO]- 434.24090 218.7
[M+Na-2H]- 396.20172 195.7
[M]+ 375.22650 192.4
[M]- 375.22760 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.