CID 510685

4-[2-(dibenzylamino)phenyl]-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C24H21NO4
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC=CC=C3C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C24H21NO4/c26-22(15-23(27)24(28)29)20-13-7-8-14-21(20)25(16-18-9-3-1-4-10-18)17-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,28,29)
InChIKey
QWINFGRYPXBXNO-UHFFFAOYSA-N
Compound name
4-[2-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.14706 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.154336 193.0
[M+Na]+ 410.136278 195.4
[M-H]- 386.139784 201.5
[M+NH4]+ 405.180883 202.2
[M+K]+ 426.110218 191.8
[M+H-H2O]+ 370.144320 182.5
[M+HCOO]- 432.145261 213.4
[M+CH3COO]- 446.160911 223.3
[M+Na-2H]- 408.121726 193.2
[M]+ 387.14651142 193.4
[M]- 387.14760858 193.4
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.