CID 231723

Nsc28390

Structural Information

Molecular Formula
C14H14N4O2S
SMILES
CN1C2=C(C(=O)N(C1=O)C)N=C(S2)NCC3=CC=CC=C3
InChI
InChI=1S/C14H14N4O2S/c1-17-11(19)10-12(18(2)14(17)20)21-13(16-10)15-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,16)
InChIKey
SQLHMVJHKRXZLY-UHFFFAOYSA-N
Compound name
2-(benzylamino)-4,6-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

302.08374 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09102 166.9
[M+Na]+ 325.07296 180.5
[M-H]- 301.07646 172.8
[M+NH4]+ 320.11756 182.1
[M+K]+ 341.04690 174.2
[M+H-H2O]+ 285.08100 158.8
[M+HCOO]- 347.08194 186.1
[M+CH3COO]- 361.09759 179.7
[M+Na-2H]- 323.05841 170.3
[M]+ 302.08319 173.7
[M]- 302.08429 173.7
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.