CID 715032

7-(diethylamino)-5-methyl-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3h)-thione

Structural Information

Molecular Formula
C16H18N4S2
SMILES
CCN(CC)C1=NC(=NC2=C1SC(=S)N2C3=CC=CC=C3)C
InChI
InChI=1S/C16H18N4S2/c1-4-19(5-2)14-13-15(18-11(3)17-14)20(16(21)22-13)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3
InChIKey
UFDOQYOTEFZFKJ-UHFFFAOYSA-N
Compound name
7-(diethylamino)-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

330.0973 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10458 172.9
[M+Na]+ 353.08652 185.5
[M-H]- 329.09002 179.1
[M+NH4]+ 348.13112 188.0
[M+K]+ 369.06046 178.4
[M+H-H2O]+ 313.09456 165.2
[M+HCOO]- 375.09550 186.0
[M+CH3COO]- 389.11115 184.7
[M+Na-2H]- 351.07197 173.6
[M]+ 330.09675 180.0
[M]- 330.09785 180.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.