CID 29806

Benzimidazole, 1-(2-(dimethylamino)-1-methylethyl)-2-(2-morpholino)ethyl-, hydrochloride

Structural Information

Molecular Formula
C18H28N4O
SMILES
CC(CN(C)C)N1C2=CC=CC=C2N=C1CCN3CCOCC3
InChI
InChI=1S/C18H28N4O/c1-15(14-20(2)3)22-17-7-5-4-6-16(17)19-18(22)8-9-21-10-12-23-13-11-21/h4-7,15H,8-14H2,1-3H3
InChIKey
OBDRWUGWIUTSIB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[2-(2-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.22632 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.233596 179.0
[M+Na]+ 339.215538 184.0
[M-H]- 315.219044 183.6
[M+NH4]+ 334.260143 190.9
[M+K]+ 355.189478 181.6
[M+H-H2O]+ 299.223580 168.3
[M+HCOO]- 361.224521 195.4
[M+CH3COO]- 375.240171 213.7
[M+Na-2H]- 337.200986 180.7
[M]+ 316.22577142 180.3
[M]- 316.22686858 180.3
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.