CID 1416990

442552-58-1

Structural Information

Molecular Formula
C18H20N4O2S2
SMILES
CCNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)CC(C)C
InChI
InChI=1S/C18H20N4O2S2/c1-4-19-15-12(16(23)21-8-6-5-7-14(21)20-15)9-13-17(24)22(10-11(2)3)18(25)26-13/h5-9,11,19H,4,10H2,1-3H3/b13-9-
InChIKey
WZGJRSAKTYMDBE-LCYFTJDESA-N
Compound name
(5Z)-5-[[2-(ethylamino)-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

388.10278 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.11006 191.3
[M+Na]+ 411.09200 202.2
[M+NH4]+ 406.13660 197.2
[M+K]+ 427.06594 193.6
[M-H]- 387.09550 193.2
[M+Na-2H]- 409.07745 193.7
[M]+ 388.10223 194.0
[M]- 388.10333 194.0
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.