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

2
Annotation Hits: 0
References: 384
Patents: 287.08255 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	288.089826	164.9
[M+Na]+	310.071768	172.3
[M-H]-	286.075274	167.7
[M+NH4]+	305.116373	176.9
[M+K]+	326.045708	165.0
[M+H-H2O]+	270.079810	155.4
[M+HCOO]-	332.080751	176.3
[M+CH3COO]-	346.096401	174.5
[M+Na-2H]-	308.057216	169.6
[M]+	287.08200142	162.1
[M]-	287.08309858	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe