CID 9571400

Nsc652032

Structural Information

Molecular Formula
C20H16N4O2S2
SMILES
CC1=NC2=C(C(=O)N1/N=C/C3=CC=C(C=C3)OC)SC(=S)N2C4=CC=CC=C4
InChI
InChI=1S/C20H16N4O2S2/c1-13-22-18-17(28-20(27)23(18)15-6-4-3-5-7-15)19(25)24(13)21-12-14-8-10-16(26-2)11-9-14/h3-12H,1-2H3/b21-12+
InChIKey
PLCJCICVMXUWLP-CIAFOILYSA-N
Compound name
6-[(E)-(4-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.07147 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.07875 195.0
[M+Na]+ 431.06069 209.2
[M-H]- 407.06419 204.7
[M+NH4]+ 426.10529 206.6
[M+K]+ 447.03463 200.2
[M+H-H2O]+ 391.06873 186.3
[M+HCOO]- 453.06967 210.0
[M+CH3COO]- 467.08532 206.1
[M+Na-2H]- 429.04614 196.1
[M]+ 408.07092 203.3
[M]- 408.07202 203.3
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.