CID 16429323

618078-11-8

Structural Information

Molecular Formula
C25H23N3O4S2
SMILES
CC1=C(C(N2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)C)/SC2=N1)C5=CC=CS5)C(=O)OCC(C)C
InChI
InChI=1S/C25H23N3O4S2/c1-13(2)12-32-24(31)18-14(3)26-25-28(20(18)17-10-7-11-33-17)23(30)21(34-25)19-15-8-5-6-9-16(15)27(4)22(19)29/h5-11,13,20H,12H2,1-4H3/b21-19-
InChIKey
JSJHCPFHSKIJRZ-VZCXRCSSSA-N
Compound name
2-methylpropyl (2Z)-7-methyl-2-(1-methyl-2-oxoindol-3-ylidene)-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.113 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.12028 217.0
[M+Na]+ 516.10222 229.9
[M+NH4]+ 511.14682 223.0
[M+K]+ 532.07616 224.9
[M-H]- 492.10572 220.6
[M+Na-2H]- 514.08767 220.2
[M]+ 493.11245 220.7
[M]- 493.11355 220.7
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.