CID 6482225

7-anilino-5-methyl-3-phenyl-thiazolo[4,5-d]pyrimidine-2-thione

Structural Information

Molecular Formula
C18H14N4S2
SMILES
CC1=NC(=C2C(=N1)N(C(=S)S2)C3=CC=CC=C3)NC4=CC=CC=C4
InChI
InChI=1S/C18H14N4S2/c1-12-19-16(21-13-8-4-2-5-9-13)15-17(20-12)22(18(23)24-15)14-10-6-3-7-11-14/h2-11H,1H3,(H,19,20,21)
InChIKey
BFISWRHQHQQXRF-UHFFFAOYSA-N
Compound name
7-anilino-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

350.06598 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.07326 176.4
[M+Na]+ 373.05520 189.9
[M-H]- 349.05870 184.5
[M+NH4]+ 368.09980 189.7
[M+K]+ 389.02914 180.4
[M+H-H2O]+ 333.06324 168.4
[M+HCOO]- 395.06418 190.3
[M+CH3COO]- 409.07983 187.9
[M+Na-2H]- 371.04065 179.5
[M]+ 350.06543 180.6
[M]- 350.06653 180.6
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.