CID 5919477

618073-61-3

Structural Information

Molecular Formula
C23H29N5O4S2
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CCOC)NCCCN4CCOCC4
InChI
InChI=1S/C23H29N5O4S2/c1-16-5-3-8-27-20(16)25-19(24-6-4-7-26-9-13-32-14-10-26)17(21(27)29)15-18-22(30)28(11-12-31-2)23(33)34-18/h3,5,8,15,24H,4,6-7,9-14H2,1-2H3/b18-15-
InChIKey
RYCYHZBFZUSVSI-SDXDJHTJSA-N
Compound name
(5Z)-3-(2-methoxyethyl)-5-[[9-methyl-2-(3-morpholin-4-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.1661 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.17338 218.3
[M+Na]+ 526.15532 228.4
[M+NH4]+ 521.19992 222.4
[M+K]+ 542.12926 220.1
[M-H]- 502.15882 222.1
[M+Na-2H]- 524.14077 219.6
[M]+ 503.16555 221.3
[M]- 503.16665 221.3
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.