CID 1902005

372499-68-8

Structural Information

Molecular Formula
C19H20N4O3S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CCOC)NCC=C
InChI
InChI=1S/C19H20N4O3S2/c1-4-7-20-15-13(17(24)22-8-5-6-12(2)16(22)21-15)11-14-18(25)23(9-10-26-3)19(27)28-14/h4-6,8,11,20H,1,7,9-10H2,2-3H3/b14-11-
InChIKey
KJQQEAYLXXPOEH-KAMYIIQDSA-N
Compound name
(5Z)-3-(2-methoxyethyl)-5-[[9-methyl-4-oxo-2-(prop-2-enylamino)pyrido[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

416.0977 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.10498 200.2
[M+Na]+ 439.08692 211.1
[M+NH4]+ 434.13152 205.1
[M+K]+ 455.06086 202.0
[M-H]- 415.09042 201.6
[M+Na-2H]- 437.07237 201.7
[M]+ 416.09715 202.7
[M]- 416.09825 202.7
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.