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]+ 317.23360 179.0
[M+Na]+ 339.21554 184.0
[M-H]- 315.21904 183.6
[M+NH4]+ 334.26014 190.9
[M+K]+ 355.18948 181.6
[M+H-H2O]+ 299.22358 168.3
[M+HCOO]- 361.22452 195.4
[M+CH3COO]- 375.24017 213.7
[M+Na-2H]- 337.20099 180.7
[M]+ 316.22577 180.3
[M]- 316.22687 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.