CID 1908822

361994-78-7

Structural Information

Molecular Formula
C19H21N5O3S2
SMILES
CN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)CCO)/SC1=S
InChI
InChI=1S/C19H21N5O3S2/c1-21-18(27)14(29-19(21)28)12-13-16(23-8-6-22(7-9-23)10-11-25)20-15-4-2-3-5-24(15)17(13)26/h2-5,12,25H,6-11H2,1H3/b14-12-
InChIKey
RVBJQSUUCNXCFY-OWBHPGMISA-N
Compound name
(5Z)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-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

431.10858 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.11586 200.6
[M+Na]+ 454.09780 209.8
[M-H]- 430.10130 203.0
[M+NH4]+ 449.14240 207.1
[M+K]+ 470.07174 200.7
[M+H-H2O]+ 414.10584 192.7
[M+HCOO]- 476.10678 201.8
[M+CH3COO]- 490.12243 207.0
[M+Na-2H]- 452.08325 194.9
[M]+ 431.10803 200.1
[M]- 431.10913 200.1
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.