CID 2880

Croconazole

Structural Information

Molecular Formula

C₁₈H₁₅ClN₂O

SMILES

C=C(C1=CC=CC=C1OCC2=CC(=CC=C2)Cl)N3C=CN=C3

InChI

InChI=1S/C18H15ClN2O/c1-14(21-10-9-20-13-21)17-7-2-3-8-18(17)22-12-15-5-4-6-16(19)11-15/h2-11,13H,1,12H2

InChIKey

WHPAGCJNPTUGGD-UHFFFAOYSA-N

Compound name

1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]imidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 25
References: 8673
Patents: 310.08728 Da
Monoisotopic Mass: 4.3
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]+	311.09456	171.7
[M+Na]+	333.07650	180.3
[M-H]-	309.08000	178.6
[M+NH4]+	328.12110	185.8
[M+K]+	349.05044	173.3
[M+H-H2O]+	293.08454	161.9
[M+HCOO]-	355.08548	188.8
[M+CH3COO]-	369.10113	182.9
[M+Na-2H]-	331.06195	174.0
[M]+	310.08673	174.3
[M]-	310.08783	174.3

Literature stripe

literature stripe

Patent stripe

patents stripe