CID 6241357

624725-93-5

Structural Information

Molecular Formula
C24H24N4O5S2
SMILES
CC1=CN2C(=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CCCCCC(=O)O)NCC4=CC=CO4)C=C1
InChI
InChI=1S/C24H24N4O5S2/c1-15-8-9-19-26-21(25-13-16-6-5-11-33-16)17(22(31)28(19)14-15)12-18-23(32)27(24(34)35-18)10-4-2-3-7-20(29)30/h5-6,8-9,11-12,14,25H,2-4,7,10,13H2,1H3,(H,29,30)/b18-12-
InChIKey
HLAOUQAQTYIYEI-PDGQHHTCSA-N
Compound name
6-[(5Z)-5-[[2-(furan-2-ylmethylamino)-7-methyl-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

512.11884 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.12612 221.5
[M+Na]+ 535.10806 231.8
[M+NH4]+ 530.15266 224.9
[M+K]+ 551.08200 226.0
[M-H]- 511.11156 224.8
[M+Na-2H]- 533.09351 223.1
[M]+ 512.11829 224.4
[M]- 512.11939 224.4
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.