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 171.4
[M+Na]+ 344.05947 182.3
[M-H]- 320.06297 174.5
[M+NH4]+ 339.10407 185.9
[M+K]+ 360.03341 175.0
[M+H-H2O]+ 304.06751 164.2
[M+HCOO]- 366.06845 179.0
[M+CH3COO]- 380.08410 182.0
[M+Na-2H]- 342.04492 170.5
[M]+ 321.06970 174.9
[M]- 321.07080 174.9
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.