CID 5905386

Ethyl (2e)-5-(2-chlorophenyl)-2-[4-(diethylamino)benzylidene]-7-methyl-3-oxo-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C27H28ClN3O3S
SMILES
CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=CC=C4Cl
InChI
InChI=1S/C27H28ClN3O3S/c1-5-30(6-2)19-14-12-18(13-15-19)16-22-25(32)31-24(20-10-8-9-11-21(20)28)23(26(33)34-7-3)17(4)29-27(31)35-22/h8-16,24H,5-7H2,1-4H3/b22-16+
InChIKey
XHABTAMXOKYICI-CJLVFECKSA-N
Compound name
ethyl (2E)-5-(2-chlorophenyl)-2-[[4-(diethylamino)phenyl]methylidene]-7-methyl-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

509.154 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.16128 223.6
[M+Na]+ 532.14322 239.2
[M+NH4]+ 527.18782 230.1
[M+K]+ 548.11716 229.7
[M-H]- 508.14672 229.5
[M+Na-2H]- 530.12867 230.5
[M]+ 509.15345 228.3
[M]- 509.15455 228.3
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.