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 196.5
[M+Na]+ 439.08692 206.6
[M-H]- 415.09042 200.1
[M+NH4]+ 434.13152 207.0
[M+K]+ 455.06086 197.7
[M+H-H2O]+ 399.09496 189.1
[M+HCOO]- 461.09590 205.0
[M+CH3COO]- 475.11155 226.1
[M+Na-2H]- 437.07237 192.8
[M]+ 416.09715 201.6
[M]- 416.09825 201.6
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.