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 179.0
[M+Na]+ 337.19988 186.0
[M-H]- 313.20338 180.3
[M+NH4]+ 332.24448 190.8
[M+K]+ 353.17382 180.1
[M+H-H2O]+ 297.20792 167.8
[M+HCOO]- 359.20886 194.5
[M+CH3COO]- 373.22451 187.9
[M+Na-2H]- 335.18533 180.4
[M]+ 314.21011 179.8
[M]- 314.21121 179.8
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