CID 1941449

477735-28-7

Structural Information

Molecular Formula
C21H20N4O3S2
SMILES
CC(C)CN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)NCC4=CC=CO4)/SC1=S
InChI
InChI=1S/C21H20N4O3S2/c1-13(2)12-25-20(27)16(30-21(25)29)10-15-18(22-11-14-6-5-9-28-14)23-17-7-3-4-8-24(17)19(15)26/h3-10,13,22H,11-12H2,1-2H3/b16-10-
InChIKey
UTIBLJCMBONZEA-YBEGLDIGSA-N
Compound name
(5Z)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.0977 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.10498 203.9
[M+Na]+ 463.08692 215.0
[M-H]- 439.09042 212.7
[M+NH4]+ 458.13152 214.0
[M+K]+ 479.06086 208.2
[M+H-H2O]+ 423.09496 197.4
[M+HCOO]- 485.09590 214.2
[M+CH3COO]- 499.11155 213.3
[M+Na-2H]- 461.07237 199.6
[M]+ 440.09715 210.3
[M]- 440.09825 210.3
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.