CID 5001598

65331-17-1

Structural Information

Molecular Formula
C14H16N2S
SMILES
C1CCC2=C(C1)C(NC(=S)N2)C3=CC=CC=C3
InChI
InChI=1S/C14H16N2S/c17-14-15-12-9-5-4-8-11(12)13(16-14)10-6-2-1-3-7-10/h1-3,6-7,13H,4-5,8-9H2,(H2,15,16,17)
InChIKey
LQBGWDJYLPXCMK-UHFFFAOYSA-N
Compound name
4-phenyl-3,4,5,6,7,8-hexahydro-1H-quinazoline-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.10342 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11070 153.3
[M+Na]+ 267.09264 159.2
[M-H]- 243.09614 154.4
[M+NH4]+ 262.13724 168.0
[M+K]+ 283.06658 151.9
[M+H-H2O]+ 227.10068 145.7
[M+HCOO]- 289.10162 161.5
[M+CH3COO]- 303.11727 162.5
[M+Na-2H]- 265.07809 155.7
[M]+ 244.10287 145.4
[M]- 244.10397 145.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.