CID 504936

N-naphthalen-2-ylmethyl-2-oxo-n-phenethyl-succinamic acid

Structural Information

Molecular Formula
C23H21NO4
SMILES
C1=CC=C(C=C1)CCN(CC2=CC3=CC=CC=C3C=C2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C23H21NO4/c25-21(23(27)28)15-22(26)24(13-12-17-6-2-1-3-7-17)16-18-10-11-19-8-4-5-9-20(19)14-18/h1-11,14H,12-13,15-16H2,(H,27,28)
InChIKey
JFQVSULWAMNZPC-UHFFFAOYSA-N
Compound name
4-[naphthalen-2-ylmethyl(2-phenylethyl)amino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.14706 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15434 189.6
[M+Na]+ 398.13628 192.6
[M-H]- 374.13978 195.9
[M+NH4]+ 393.18088 200.8
[M+K]+ 414.11022 189.1
[M+H-H2O]+ 358.14432 180.1
[M+HCOO]- 420.14526 208.8
[M+CH3COO]- 434.16091 221.4
[M+Na-2H]- 396.12173 191.2
[M]+ 375.14651 191.0
[M]- 375.14761 191.0
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.