CID 135418368

5(4'-hydroxybenzylidenoimino)-3-methylisothiazolo(5,4-d)pyrimidine-(7h)-4,6-dione

Structural Information

Molecular Formula
C13H10N4O3S
SMILES
CC1=NSC2=C1C(=O)N(C(=O)N2)/N=C/C3=CC=C(C=C3)O
InChI
InChI=1S/C13H10N4O3S/c1-7-10-11(21-16-7)15-13(20)17(12(10)19)14-6-8-2-4-9(18)5-3-8/h2-6,18H,1H3,(H,15,20)/b14-6+
InChIKey
ALZDMJPUQGYCAX-MKMNVTDBSA-N
Compound name
5-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methyl-7H-[1,2]thiazolo[5,4-d]pyrimidine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

0
Patents

302.04736 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05464 166.5
[M+Na]+ 325.03658 181.0
[M+NH4]+ 320.08118 172.7
[M+K]+ 341.01052 174.6
[M-H]- 301.04008 168.6
[M+Na-2H]- 323.02203 172.8
[M]+ 302.04681 169.5
[M]- 302.04791 169.5
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.