CID 3058350

75129-84-9

Structural Information

Molecular Formula
C14H14Cl2N2OS
SMILES
C1CCC(CC1)N2C(=O)C3=C(C(=CC(=C3)Cl)Cl)NC2=S
InChI
InChI=1S/C14H14Cl2N2OS/c15-8-6-10-12(11(16)7-8)17-14(20)18(13(10)19)9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H,17,20)
InChIKey
AQVHCBDSIOAKOF-UHFFFAOYSA-N
Compound name
6,8-dichloro-3-cyclohexyl-2-sulfanylidene-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0204 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.02768 167.4
[M+Na]+ 351.00962 177.9
[M-H]- 327.01312 170.4
[M+NH4]+ 346.05422 181.5
[M+K]+ 366.98356 169.4
[M+H-H2O]+ 311.01766 161.1
[M+HCOO]- 373.01860 169.0
[M+CH3COO]- 387.03425 177.3
[M+Na-2H]- 348.99507 167.8
[M]+ 328.01985 167.6
[M]- 328.02095 167.6
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.