CID 6292587

374545-31-0

Structural Information

Molecular Formula
C27H28N4O3S2
SMILES
CC1CN(CC(O1)C)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)CCC5=CC=CC=C5
InChI
InChI=1S/C27H28N4O3S2/c1-17-8-7-12-30-23(17)28-24(29-15-18(2)34-19(3)16-29)21(25(30)32)14-22-26(33)31(27(35)36-22)13-11-20-9-5-4-6-10-20/h4-10,12,14,18-19H,11,13,15-16H2,1-3H3/b22-14-
InChIKey
ACXMVWKPNPMNQX-HMAPJEAMSA-N
Compound name
(5Z)-5-[[2-(2,6-dimethylmorpholin-4-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.1603 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.16758 226.3
[M+Na]+ 543.14952 235.6
[M-H]- 519.15302 234.7
[M+NH4]+ 538.19412 229.8
[M+K]+ 559.12346 226.7
[M+H-H2O]+ 503.15756 216.9
[M+HCOO]- 565.15850 228.2
[M+CH3COO]- 579.17415 232.2
[M+Na-2H]- 541.13497 218.5
[M]+ 520.15975 228.0
[M]- 520.16085 228.0
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.