CID 1305762

Salor-int l431540-1ea

Structural Information

Molecular Formula
C24H24N4O3S2
SMILES
CCNC1=C(C(=O)N2C=CC=C(C2=N1)C)/C=C\3/C(=O)N(C(=S)S3)CCC4=CC=C(C=C4)OC
InChI
InChI=1S/C24H24N4O3S2/c1-4-25-20-18(22(29)27-12-5-6-15(2)21(27)26-20)14-19-23(30)28(24(32)33-19)13-11-16-7-9-17(31-3)10-8-16/h5-10,12,14,25H,4,11,13H2,1-3H3/b19-14-
InChIKey
NFOAUEPKTNSGHK-RGEXLXHISA-N
Compound name
(5Z)-5-[[2-(ethylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[2-(4-methoxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.129 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.13628 214.9
[M+Na]+ 503.11822 228.1
[M+NH4]+ 498.16282 220.5
[M+K]+ 519.09216 217.9
[M-H]- 479.12172 219.4
[M+Na-2H]- 501.10367 219.5
[M]+ 480.12845 218.9
[M]- 480.12955 218.9
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.