CID 6482224

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

Structural Information

Molecular Formula
C15H14N4S2
SMILES
CC1=NC(=C2C(=N1)N(C(=S)S2)C3=CC=CC=C3)NC4CC4
InChI
InChI=1S/C15H14N4S2/c1-9-16-13(18-10-7-8-10)12-14(17-9)19(15(20)21-12)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3,(H,16,17,18)
InChIKey
XMRXNMWVWZNEGG-UHFFFAOYSA-N
Compound name
7-(cyclopropylamino)-5-methyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.06598 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.07326 165.1
[M+Na]+ 337.05520 179.3
[M-H]- 313.05870 173.0
[M+NH4]+ 332.09980 175.4
[M+K]+ 353.02914 170.3
[M+H-H2O]+ 297.06324 158.0
[M+HCOO]- 359.06418 179.3
[M+CH3COO]- 373.07983 176.7
[M+Na-2H]- 335.04065 167.2
[M]+ 314.06543 171.3
[M]- 314.06653 171.3
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.