CID 80460994

(2-chloropyridin-4-yl)(1-propyl-1h-imidazol-2-yl)methanol

Structural Information

Molecular Formula
C12H14ClN3O
SMILES
CCCN1C=CN=C1C(C2=CC(=NC=C2)Cl)O
InChI
InChI=1S/C12H14ClN3O/c1-2-6-16-7-5-15-12(16)11(17)9-3-4-14-10(13)8-9/h3-5,7-8,11,17H,2,6H2,1H3
InChIKey
DMEYKUWUXFPIIT-UHFFFAOYSA-N
Compound name
(2-chloro-4-pyridinyl)-(1-propylimidazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.08253 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.089806 155.0
[M+Na]+ 274.071748 164.1
[M-H]- 250.075254 156.5
[M+NH4]+ 269.116353 170.0
[M+K]+ 290.045688 158.9
[M+H-H2O]+ 234.079790 146.4
[M+HCOO]- 296.080731 169.8
[M+CH3COO]- 310.096381 190.4
[M+Na-2H]- 272.057196 157.8
[M]+ 251.08198142 157.2
[M]- 251.08307858 157.2
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.