CID 13656990

1h-benzimidazole, 2-((4-methyl-1-piperazinyl)methyl)-1-(2-(2-propenyloxy)ethyl)-, (e)-2-butenedioate, hydrate (2:2:3)

Structural Information

Molecular Formula
C18H26N4O
SMILES
CN1CCN(CC1)CC2=NC3=CC=CC=C3N2CCOCC=C
InChI
InChI=1S/C18H26N4O/c1-3-13-23-14-12-22-17-7-5-4-6-16(17)19-18(22)15-21-10-8-20(2)9-11-21/h3-7H,1,8-15H2,2H3
InChIKey
DWZJAKWMORDUPH-UHFFFAOYSA-N
Compound name
2-[(4-methylpiperazin-1-yl)methyl]-1-(2-prop-2-enoxyethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

314.21066 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.21794 178.6
[M+Na]+ 337.19988 191.6
[M+NH4]+ 332.24448 185.1
[M+K]+ 353.17382 185.1
[M-H]- 313.20338 180.4
[M+Na-2H]- 335.18533 183.7
[M]+ 314.21011 180.8
[M]- 314.21121 180.8
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