CID 206601

Alpha-(p-chlorophenyl)-alpha-2-imidazolin-2-yl-2-pyridinemethanol maleate

Structural Information

Molecular Formula
C15H14ClN3O
SMILES
C1CN=C(N1)C(C2=CC=C(C=C2)Cl)C3=CNC(=O)C=C3
InChI
InChI=1S/C15H14ClN3O/c16-12-4-1-10(2-5-12)14(15-17-7-8-18-15)11-3-6-13(20)19-9-11/h1-6,9,14H,7-8H2,(H,17,18)(H,19,20)
InChIKey
AWXFXBJXMQTBSC-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.08255 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08983 163.8
[M+Na]+ 310.07177 171.7
[M-H]- 286.07527 166.7
[M+NH4]+ 305.11637 175.9
[M+K]+ 326.04571 163.8
[M+H-H2O]+ 270.07981 154.2
[M+HCOO]- 332.08075 176.1
[M+CH3COO]- 346.09640 173.6
[M+Na-2H]- 308.05722 165.8
[M]+ 287.08200 160.7
[M]- 287.08310 160.7
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.