CID 504931

4-[2,2-dimethylpropyl(2-naphthylmethyl)amino]-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C20H23NO4
SMILES
CC(C)(C)CN(CC1=CC2=CC=CC=C2C=C1)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C20H23NO4/c1-20(2,3)13-21(18(23)11-17(22)19(24)25)12-14-8-9-15-6-4-5-7-16(15)10-14/h4-10H,11-13H2,1-3H3,(H,24,25)
InChIKey
BEILFQXCYZIYIR-UHFFFAOYSA-N
Compound name
4-[2,2-dimethylpropyl(naphthalen-2-ylmethyl)amino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16272 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 181.1
[M+Na]+ 364.15194 185.0
[M-H]- 340.15544 184.7
[M+NH4]+ 359.19654 194.7
[M+K]+ 380.12588 183.2
[M+H-H2O]+ 324.15998 174.0
[M+HCOO]- 386.16092 198.6
[M+CH3COO]- 400.17657 216.1
[M+Na-2H]- 362.13739 182.8
[M]+ 341.16217 183.8
[M]- 341.16327 183.8
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.