CID 1969032

499210-19-4

Structural Information

Molecular Formula
C20H23N5O2S2
SMILES
CCN1CCN(CC1)C2=C(C(=O)N3C=C(C=CC3=N2)C)/C=C\4/C(=O)N(C(=S)S4)C
InChI
InChI=1S/C20H23N5O2S2/c1-4-23-7-9-24(10-8-23)17-14(11-15-19(27)22(3)20(28)29-15)18(26)25-12-13(2)5-6-16(25)21-17/h5-6,11-12H,4,7-10H2,1-3H3/b15-11-
InChIKey
YIGSEKVGJRAQBF-PTNGSMBKSA-N
Compound name
(5Z)-5-[[2-(4-ethylpiperazin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.1293 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.13658 203.2
[M+Na]+ 452.11852 216.0
[M+NH4]+ 447.16312 208.8
[M+K]+ 468.09246 206.8
[M-H]- 428.12202 206.0
[M+Na-2H]- 450.10397 205.7
[M]+ 429.12875 206.5
[M]- 429.12985 206.5
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.