CID 5929421

618071-97-9

Structural Information

Molecular Formula
C23H26N4O5S2
SMILES
CC1=CN2C(=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CCCCCC(=O)O)N4CCOCC4)C=C1
InChI
InChI=1S/C23H26N4O5S2/c1-15-6-7-18-24-20(25-9-11-32-12-10-25)16(21(30)27(18)14-15)13-17-22(31)26(23(33)34-17)8-4-2-3-5-19(28)29/h6-7,13-14H,2-5,8-12H2,1H3,(H,28,29)/b17-13-
InChIKey
WKYZCLTWKHVWQS-LGMDPLHJSA-N
Compound name
6-[(5Z)-5-[(7-methyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.13446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.14174 217.0
[M+Na]+ 525.12368 227.0
[M+NH4]+ 520.16828 220.3
[M+K]+ 541.09762 219.8
[M-H]- 501.12718 219.2
[M+Na-2H]- 523.10913 217.3
[M]+ 502.13391 219.5
[M]- 502.13501 219.5
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.