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-chloropyridin-4-yl)-(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]+ 252.08981 155.0
[M+Na]+ 274.07175 164.1
[M-H]- 250.07525 156.5
[M+NH4]+ 269.11635 170.0
[M+K]+ 290.04569 158.9
[M+H-H2O]+ 234.07979 146.4
[M+HCOO]- 296.08073 169.8
[M+CH3COO]- 310.09638 190.4
[M+Na-2H]- 272.05720 157.8
[M]+ 251.08198 157.2
[M]- 251.08308 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.