CID 505541

Schembl6703762

Structural Information

Molecular Formula
C23H27NO4
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(CCCC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C23H27NO4/c1-23(2,3)28-22(27)20(25)17-21(26)24(19-14-8-5-9-15-19)16-10-13-18-11-6-4-7-12-18/h4-9,11-12,14-15H,10,13,16-17H2,1-3H3
InChIKey
HYHINJDDWQHRGA-UHFFFAOYSA-N
Compound name
tert-butyl 2,4-dioxo-4-[N-(3-phenylpropyl)anilino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

381.194 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.201276 194.1
[M+Na]+ 404.183218 196.3
[M-H]- 380.186724 200.8
[M+NH4]+ 399.227823 205.2
[M+K]+ 420.157158 194.5
[M+H-H2O]+ 364.191260 185.0
[M+HCOO]- 426.192201 213.8
[M+CH3COO]- 440.207851 223.7
[M+Na-2H]- 402.168666 194.6
[M]+ 381.19345142 197.9
[M]- 381.19454858 197.9
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

patents stripe