CID 1579439

431926-45-3

Structural Information

Molecular Formula
C19H20N4O2S2
SMILES
CC(C)CN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)NCC=C)/SC1=S
InChI
InChI=1S/C19H20N4O2S2/c1-4-8-20-16-13(17(24)22-9-6-5-7-15(22)21-16)10-14-18(25)23(11-12(2)3)19(26)27-14/h4-7,9-10,12,20H,1,8,11H2,2-3H3/b14-10-
InChIKey
BJZBGJAQBWGBBU-UVTDQMKNSA-N
Compound name
(5Z)-3-(2-methylpropyl)-5-[[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

400.10278 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.11006 195.0
[M+Na]+ 423.09200 205.7
[M+NH4]+ 418.13660 200.4
[M+K]+ 439.06594 196.8
[M-H]- 399.09550 196.6
[M+Na-2H]- 421.07745 197.1
[M]+ 400.10223 197.6
[M]- 400.10333 197.6
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.