CID 5595314

378752-13-7

Structural Information

Molecular Formula
C18H18N4O3S2
SMILES
COCCNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)CC=C
InChI
InChI=1S/C18H18N4O3S2/c1-3-8-22-17(24)13(27-18(22)26)11-12-15(19-7-10-25-2)20-14-6-4-5-9-21(14)16(12)23/h3-6,9,11,19H,1,7-8,10H2,2H3/b13-11-
InChIKey
FLHDIQQBEHFOLM-QBFSEMIESA-N
Compound name
(5Z)-5-[[2-(2-methoxyethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.08203 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.08931 194.8
[M+Na]+ 425.07125 205.6
[M+NH4]+ 420.11585 200.0
[M+K]+ 441.04519 196.6
[M-H]- 401.07475 196.3
[M+Na-2H]- 423.05670 196.9
[M]+ 402.08148 197.4
[M]- 402.08258 197.4
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.