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]+ 388.15434 193.0
[M+Na]+ 410.13628 195.4
[M-H]- 386.13978 201.5
[M+NH4]+ 405.18088 202.2
[M+K]+ 426.11022 191.8
[M+H-H2O]+ 370.14432 182.5
[M+HCOO]- 432.14526 213.4
[M+CH3COO]- 446.16091 223.3
[M+Na-2H]- 408.12173 193.2
[M]+ 387.14651 193.4
[M]- 387.14761 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.