CID 15958465

823195-68-2

Structural Information

Molecular Formula
C18H17ClN2S
SMILES
CC1=NC2=C(C=C(C=C2)Cl)C(=S)N1C3=CC=C(C=C3)C(C)C
InChI
InChI=1S/C18H17ClN2S/c1-11(2)13-4-7-15(8-5-13)21-12(3)20-17-9-6-14(19)10-16(17)18(21)22/h4-11H,1-3H3
InChIKey
OXKBMVDGFCNKEH-UHFFFAOYSA-N
Compound name
6-chloro-2-methyl-3-(4-propan-2-ylphenyl)quinazoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0801 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.08738 172.6
[M+Na]+ 351.06932 184.5
[M-H]- 327.07282 178.3
[M+NH4]+ 346.11392 187.3
[M+K]+ 367.04326 176.3
[M+H-H2O]+ 311.07736 164.8
[M+HCOO]- 373.07830 182.3
[M+CH3COO]- 387.09395 184.0
[M+Na-2H]- 349.05477 173.9
[M]+ 328.07955 177.9
[M]- 328.08065 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.