CID 504885

4-[methyl(3-phenylpropyl)amino]-2,4-dioxobutanoic acid

Structural Information

Molecular Formula
C14H17NO4
SMILES
CN(CCCC1=CC=CC=C1)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C14H17NO4/c1-15(13(17)10-12(16)14(18)19)9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,18,19)
InChIKey
UQSRXSMRJDSXNI-UHFFFAOYSA-N
Compound name
4-[methyl(3-phenylpropyl)amino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11575 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 160.8
[M+Na]+ 286.10497 164.8
[M-H]- 262.10847 163.7
[M+NH4]+ 281.14957 176.3
[M+K]+ 302.07891 164.0
[M+H-H2O]+ 246.11301 153.6
[M+HCOO]- 308.11395 182.2
[M+CH3COO]- 322.12960 199.7
[M+Na-2H]- 284.09042 161.7
[M]+ 263.11520 162.8
[M]- 263.11630 162.8
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.