CID 74935242

Ns00058280

Structural Information

Molecular Formula
C14H17NO4
SMILES
CCOC(=O)C(C=O)N(C=O)C(C)C1=CC=CC=C1
InChI
InChI=1S/C14H17NO4/c1-3-19-14(18)13(9-16)15(10-17)11(2)12-7-5-4-6-8-12/h4-11,13H,3H2,1-2H3
InChIKey
KYSCKCJIGHCXMO-UHFFFAOYSA-N
Compound name
ethyl 2-[formyl(1-phenylethyl)amino]-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11575 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.123026 160.3
[M+Na]+ 286.104968 164.7
[M-H]- 262.108474 164.6
[M+NH4]+ 281.149573 176.6
[M+K]+ 302.078908 164.8
[M+H-H2O]+ 246.113010 152.8
[M+HCOO]- 308.113951 183.2
[M+CH3COO]- 322.129601 202.2
[M+Na-2H]- 284.090416 161.7
[M]+ 263.11520142 164.2
[M]- 263.11629858 164.2
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.