CID 59693

Fadrozole

Structural Information

Molecular Formula

C₁₄H₁₃N₃

SMILES

C1CC(N2C=NC=C2C1)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2

InChIKey

CLPFFLWZZBQMAO-UHFFFAOYSA-N

Compound name

4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 573
References: 58205
Patents: 223.11095 Da
Monoisotopic Mass: 2.1
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]+	224.11823	150.6
[M+Na]+	246.10017	160.8
[M-H]-	222.10367	153.4
[M+NH4]+	241.14477	166.6
[M+K]+	262.07411	153.4
[M+H-H2O]+	206.10821	135.2
[M+HCOO]-	268.10915	166.5
[M+CH3COO]-	282.12480	160.9
[M+Na-2H]-	244.08562	154.8
[M]+	223.11040	142.9
[M]-	223.11150	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe