CID 5931055

618077-12-6

Structural Information

Molecular Formula
C25H26N4O4S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CCC4=CC=C(C=C4)OC)NCCOC
InChI
InChI=1S/C25H26N4O4S2/c1-16-5-4-12-28-22(16)27-21(26-11-14-32-2)19(23(28)30)15-20-24(31)29(25(34)35-20)13-10-17-6-8-18(33-3)9-7-17/h4-9,12,15,26H,10-11,13-14H2,1-3H3/b20-15-
InChIKey
SYZADAOEBKRIPD-HKWRFOASSA-N
Compound name
(5Z)-5-[[2-(2-methoxyethylamino)-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

510.13956 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.14684 222.0
[M+Na]+ 533.12878 234.5
[M+NH4]+ 528.17338 226.8
[M+K]+ 549.10272 224.6
[M-H]- 509.13228 226.0
[M+Na-2H]- 531.11423 226.0
[M]+ 510.13901 225.6
[M]- 510.14011 225.6
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.