CID 505090

N-(1,3-benzothiazol-2-yl)-3-(5-ethyl-4,5-dihydrooxazol-2-yl)-3-oxo-n-(3-phenylpropyl)propanamide

Structural Information

Molecular Formula
C24H25N3O3S
SMILES
CCC1CN=C(O1)C(=O)CC(=O)N(CCCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C24H25N3O3S/c1-2-18-16-25-23(30-18)20(28)15-22(29)27(14-8-11-17-9-4-3-5-10-17)24-26-19-12-6-7-13-21(19)31-24/h3-7,9-10,12-13,18H,2,8,11,14-16H2,1H3
InChIKey
OQPMMHUYFXYYNJ-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-3-(5-ethyl-4,5-dihydro-1,3-oxazol-2-yl)-3-oxo-N-(3-phenylpropyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.16165 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.16893 206.2
[M+Na]+ 458.15087 212.3
[M-H]- 434.15437 216.6
[M+NH4]+ 453.19547 216.8
[M+K]+ 474.12481 209.0
[M+H-H2O]+ 418.15891 197.4
[M+HCOO]- 480.15985 222.3
[M+CH3COO]- 494.17550 215.4
[M+Na-2H]- 456.13632 203.5
[M]+ 435.16110 213.6
[M]- 435.16220 213.6
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.