CID 3778991

Methyl 5-(4-bromophenyl)-2,7-dimethyl-3-oxo-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C16H15BrN2O3S
SMILES
CC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OC)C3=CC=C(C=C3)Br
InChI
InChI=1S/C16H15BrN2O3S/c1-8-12(15(21)22-3)13(10-4-6-11(17)7-5-10)19-14(20)9(2)23-16(19)18-8/h4-7,9,13H,1-3H3
InChIKey
WBGSVKBXZRNXHR-UHFFFAOYSA-N
Compound name
methyl 5-(4-bromophenyl)-2,7-dimethyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.9987 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.00598 174.5
[M+Na]+ 416.98792 188.0
[M-H]- 392.99142 183.1
[M+NH4]+ 412.03252 191.5
[M+K]+ 432.96186 176.1
[M+H-H2O]+ 376.99596 174.3
[M+HCOO]- 438.99690 186.6
[M+CH3COO]- 453.01255 215.2
[M+Na-2H]- 414.97337 174.5
[M]+ 393.99815 197.6
[M]- 393.99925 197.6
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.