CID 15958466

823195-69-3

Structural Information

Molecular Formula
C16H13ClN2OS
SMILES
CC1=NC2=C(C=C(C=C2)Cl)C(=S)N1C3=CC=C(C=C3)OC
InChI
InChI=1S/C16H13ClN2OS/c1-10-18-15-8-3-11(17)9-14(15)16(21)19(10)12-4-6-13(20-2)7-5-12/h3-9H,1-2H3
InChIKey
SEJQSMKJMKDAQZ-UHFFFAOYSA-N
Compound name
6-chloro-3-(4-methoxyphenyl)-2-methylquinazoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0437 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05098 168.1
[M+Na]+ 339.03292 181.1
[M-H]- 315.03642 174.1
[M+NH4]+ 334.07752 183.3
[M+K]+ 355.00686 173.4
[M+H-H2O]+ 299.04096 160.3
[M+HCOO]- 361.04190 179.7
[M+CH3COO]- 375.05755 180.3
[M+Na-2H]- 337.01837 171.4
[M]+ 316.04315 174.6
[M]- 316.04425 174.6
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.