CID 16429314

618077-83-1

Structural Information

Molecular Formula
C27H25N3O4S2
SMILES
CC1=C(C(N2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC=C)/SC2=N1)C5=CC=CS5)C(=O)OCC(C)C
InChI
InChI=1S/C27H25N3O4S2/c1-5-12-29-18-10-7-6-9-17(18)21(24(29)31)23-25(32)30-22(19-11-8-13-35-19)20(16(4)28-27(30)36-23)26(33)34-14-15(2)3/h5-11,13,15,22H,1,12,14H2,2-4H3/b23-21-
InChIKey
FHYKYDGOHAJYPY-LNVKXUELSA-N
Compound name
2-methylpropyl (2Z)-7-methyl-3-oxo-2-(2-oxo-1-prop-2-enylindol-3-ylidene)-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

519.12866 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.13594 227.9
[M+Na]+ 542.11788 239.9
[M-H]- 518.12138 238.3
[M+NH4]+ 537.16248 239.5
[M+K]+ 558.09182 233.0
[M+H-H2O]+ 502.12592 223.5
[M+HCOO]- 564.12686 237.4
[M+CH3COO]- 578.14251 236.8
[M+Na-2H]- 540.10333 219.0
[M]+ 519.12811 239.0
[M]- 519.12921 239.0
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.