CID 504940

N-naphthalen-1-ylmethyl-2-oxo-n-phenyl-succinamic acid

Structural Information

Molecular Formula
C21H17NO4
SMILES
C1=CC=C(C=C1)N(CC2=CC=CC3=CC=CC=C32)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C21H17NO4/c23-19(21(25)26)13-20(24)22(17-10-2-1-3-11-17)14-16-9-6-8-15-7-4-5-12-18(15)16/h1-12H,13-14H2,(H,25,26)
InChIKey
NBFZCHHGKHECNV-UHFFFAOYSA-N
Compound name
4-[N-(naphthalen-1-ylmethyl)anilino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.11575 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.123026 180.4
[M+Na]+ 370.104968 184.3
[M-H]- 346.108474 187.1
[M+NH4]+ 365.149573 192.8
[M+K]+ 386.078908 181.2
[M+H-H2O]+ 330.113010 171.3
[M+HCOO]- 392.113951 200.3
[M+CH3COO]- 406.129601 215.6
[M+Na-2H]- 368.090416 183.0
[M]+ 347.11520142 181.1
[M]- 347.11629858 181.1
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.