CID 32940

Dazadrol

Structural Information

Molecular Formula
C15H14ClN3O
SMILES
C1CN=C(N1)C(C2=CC=C(C=C2)Cl)(C3=CC=CC=N3)O
InChI
InChI=1S/C15H14ClN3O/c16-12-6-4-11(5-7-12)15(20,14-18-9-10-19-14)13-3-1-2-8-17-13/h1-8,20H,9-10H2,(H,18,19)
InChIKey
DITYEPYMBCHKLF-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(4,5-dihydro-1H-imidazol-2-yl)-pyridin-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

378
Patents

287.08255 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08983 164.9
[M+Na]+ 310.07177 172.3
[M-H]- 286.07527 167.7
[M+NH4]+ 305.11637 176.9
[M+K]+ 326.04571 165.0
[M+H-H2O]+ 270.07981 155.4
[M+HCOO]- 332.08075 176.3
[M+CH3COO]- 346.09640 174.5
[M+Na-2H]- 308.05722 169.6
[M]+ 287.08200 162.1
[M]- 287.08310 162.1
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.