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]+ 382.20128 194.1
[M+Na]+ 404.18322 196.3
[M-H]- 380.18672 200.8
[M+NH4]+ 399.22782 205.2
[M+K]+ 420.15716 194.5
[M+H-H2O]+ 364.19126 185.0
[M+HCOO]- 426.19220 213.8
[M+CH3COO]- 440.20785 223.7
[M+Na-2H]- 402.16867 194.6
[M]+ 381.19345 197.9
[M]- 381.19455 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