CID 1639374

381187-17-3

Structural Information

Molecular Formula
C18H20N4O4S2
SMILES
COCCNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)CCOC
InChI
InChI=1S/C18H20N4O4S2/c1-25-9-6-19-15-12(16(23)21-7-4-3-5-14(21)20-15)11-13-17(24)22(8-10-26-2)18(27)28-13/h3-5,7,11,19H,6,8-10H2,1-2H3/b13-11-
InChIKey
XMCRDEHZWOQYEG-QBFSEMIESA-N
Compound name
(5Z)-3-(2-methoxyethyl)-5-[[2-(2-methoxyethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.0926 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.09988 198.3
[M+Na]+ 443.08182 208.5
[M+NH4]+ 438.12642 203.1
[M+K]+ 459.05576 200.2
[M-H]- 419.08532 199.4
[M+Na-2H]- 441.06727 200.1
[M]+ 420.09205 200.6
[M]- 420.09315 200.6
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.