CID 1936622

487023-01-8

Structural Information

Molecular Formula
C22H27N5O2S2
SMILES
CCN1CCN(CC1)C2=C(C(=O)N3C=C(C=CC3=N2)C)/C=C\4/C(=O)N(C(=S)S4)C(C)C
InChI
InChI=1S/C22H27N5O2S2/c1-5-24-8-10-25(11-9-24)19-16(12-17-21(29)27(14(2)3)22(30)31-17)20(28)26-13-15(4)6-7-18(26)23-19/h6-7,12-14H,5,8-11H2,1-4H3/b17-12-
InChIKey
LQDYDLGZIHYNQE-ATVHPVEESA-N
Compound name
(5Z)-5-[[2-(4-ethylpiperazin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.1606 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.16788 209.8
[M+Na]+ 480.14982 221.8
[M+NH4]+ 475.19442 214.9
[M+K]+ 496.12376 213.0
[M-H]- 456.15332 212.3
[M+Na-2H]- 478.13527 211.7
[M]+ 457.16005 212.9
[M]- 457.16115 212.9
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.