CID 5891671

609795-01-9

Structural Information

Molecular Formula
C28H22N2O5S
SMILES
CC1=C(C(N2C(=O)/C(=C/C3=CC=CC4=CC=CC=C43)/SC2=N1)C5=CC=C(C=C5)C(=O)OC)C(=O)OC
InChI
InChI=1S/C28H22N2O5S/c1-16-23(27(33)35-3)24(18-11-13-19(14-12-18)26(32)34-2)30-25(31)22(36-28(30)29-16)15-20-9-6-8-17-7-4-5-10-21(17)20/h4-15,24H,1-3H3/b22-15-
InChIKey
NQGDJFZCBOBKLK-JCMHNJIXSA-N
Compound name
methyl (2Z)-5-(4-methoxycarbonylphenyl)-7-methyl-2-(naphthalen-1-ylmethylidene)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.12494 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.13222 218.2
[M+Na]+ 521.11416 235.4
[M+NH4]+ 516.15876 224.4
[M+K]+ 537.08810 226.8
[M-H]- 497.11766 223.7
[M+Na-2H]- 519.09961 225.9
[M]+ 498.12439 222.9
[M]- 498.12549 222.9
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.