CID 13656987

1h-benzimidazole, 1-(2-ethoxyethyl)-2-((4-propyl-1-piperazinyl)methyl)-, (e)-2-butenedioate (2:3)

Structural Information

Molecular Formula
C19H30N4O
SMILES
CCCN1CCN(CC1)CC2=NC3=CC=CC=C3N2CCOCC
InChI
InChI=1S/C19H30N4O/c1-3-9-21-10-12-22(13-11-21)16-19-20-17-7-5-6-8-18(17)23(19)14-15-24-4-2/h5-8H,3-4,9-16H2,1-2H3
InChIKey
UDFICCZWAOCKMM-UHFFFAOYSA-N
Compound name
1-(2-ethoxyethyl)-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

330.24197 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.24925 184.2
[M+Na]+ 353.23119 190.5
[M-H]- 329.23469 185.3
[M+NH4]+ 348.27579 195.5
[M+K]+ 369.20513 184.9
[M+H-H2O]+ 313.23923 172.7
[M+HCOO]- 375.24017 199.2
[M+CH3COO]- 389.25582 211.4
[M+Na-2H]- 351.21664 185.2
[M]+ 330.24142 186.1
[M]- 330.24252 186.1
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

patents stripe