CID 376040

Nsc656439

Structural Information

Molecular Formula
C19H11N3O2S2
SMILES
C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)O)C(=O)N(C2=S)C4=CC=CC=C4
InChI
InChI=1S/C19H11N3O2S2/c20-11-14-16(23)15-17(24)21(12-7-3-1-4-8-12)19(25)22(18(15)26-14)13-9-5-2-6-10-13/h1-10,23H
InChIKey
JPWPIMNPAQVILH-UHFFFAOYSA-N
Compound name
5-hydroxy-4-oxo-1,3-diphenyl-2-sulfanylidenethieno[2,3-d]pyrimidine-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.02927 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.03655 199.1
[M+Na]+ 400.01849 215.2
[M-H]- 376.02199 205.8
[M+NH4]+ 395.06309 210.6
[M+K]+ 415.99243 204.6
[M+H-H2O]+ 360.02653 185.4
[M+HCOO]- 422.02747 208.1
[M+CH3COO]- 436.04312 208.1
[M+Na-2H]- 398.00394 198.0
[M]+ 377.02872 198.7
[M]- 377.02982 198.7
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.