CID 154700566

6-chloranyl-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one

Structural Information

Molecular Formula
C15H16ClN3OS
SMILES
CC(C)C1NC(=CS1)CN2C=NC3=C(C2=O)C=C(C=C3)Cl
InChI
InChI=1S/C15H16ClN3OS/c1-9(2)14-18-11(7-21-14)6-19-8-17-13-4-3-10(16)5-12(13)15(19)20/h3-5,7-9,14,18H,6H2,1-2H3
InChIKey
ZXMPGCMASPZREE-UHFFFAOYSA-N
Compound name
6-chloro-3-[(2-propan-2-yl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.07025 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.07753 172.1
[M+Na]+ 344.05947 186.7
[M+NH4]+ 339.10407 180.2
[M+K]+ 360.03341 178.7
[M-H]- 320.06297 174.7
[M+Na-2H]- 342.04492 177.6
[M]+ 321.06970 175.7
[M]- 321.07080 175.7
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.