CID 3048647

63917-28-2

Structural Information

Molecular Formula

C₁₄H₁₂N₂S

SMILES

C1=CC=C(C=C1)C2C3=CC=CC=C3NC(=S)N2

InChI

InChI=1S/C14H12N2S/c17-14-15-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-9,13H,(H2,15,16,17)

InChIKey

KGYGEGTZCZIKMX-UHFFFAOYSA-N

Compound name

4-phenyl-3,4-dihydro-1H-quinazoline-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 240.07211 Da
Monoisotopic Mass: 2.8
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]+	241.07939	150.8
[M+Na]+	263.06133	158.8
[M-H]-	239.06483	152.7
[M+NH4]+	258.10593	165.8
[M+K]+	279.03527	150.9
[M+H-H2O]+	223.06937	143.3
[M+HCOO]-	285.07031	161.9
[M+CH3COO]-	299.08596	161.1
[M+Na-2H]-	261.04678	155.2
[M]+	240.07156	145.7
[M]-	240.07266	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe