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: 14
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	151.5
[M+Na]+	263.06133	166.4
[M+NH4]+	258.10593	161.1
[M+K]+	279.03527	155.9
[M-H]-	239.06483	155.8
[M+Na-2H]-	261.04678	159.6
[M]+	240.07156	155.4
[M]-	240.07266	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe