CID 504907

4-[4-benzyl-n-(2-naphthylmethyl)anilino]-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C28H23NO4
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)N(CC3=CC4=CC=CC=C4C=C3)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C28H23NO4/c30-26(28(32)33)18-27(31)29(19-22-10-13-23-8-4-5-9-24(23)17-22)25-14-11-21(12-15-25)16-20-6-2-1-3-7-20/h1-15,17H,16,18-19H2,(H,32,33)
InChIKey
GKRSXYDDMNPFRA-UHFFFAOYSA-N
Compound name
4-[4-benzyl-N-(naphthalen-2-ylmethyl)anilino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.16272 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.17000 206.2
[M+Na]+ 460.15194 208.7
[M-H]- 436.15544 215.2
[M+NH4]+ 455.19654 214.2
[M+K]+ 476.12588 204.2
[M+H-H2O]+ 420.15998 194.9
[M+HCOO]- 482.16092 224.5
[M+CH3COO]- 496.17657 233.5
[M+Na-2H]- 458.13739 206.8
[M]+ 437.16217 206.6
[M]- 437.16327 206.6
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.