CID 274759

Nsc120982

Structural Information

Molecular Formula
C15H17NO6
SMILES
CCOC(=O)C(=O)N(CC(=O)OC)C(=O)CC1=CC=CC=C1
InChI
InChI=1S/C15H17NO6/c1-3-22-15(20)14(19)16(10-13(18)21-2)12(17)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
InChIKey
AOYGDUXHVRDBAP-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-methoxy-2-oxoethyl)-(2-phenylacetyl)amino]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1056 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11288 169.1
[M+Na]+ 330.09482 173.2
[M-H]- 306.09832 173.5
[M+NH4]+ 325.13942 183.6
[M+K]+ 346.06876 174.4
[M+H-H2O]+ 290.10286 161.4
[M+HCOO]- 352.10380 191.4
[M+CH3COO]- 366.11945 206.9
[M+Na-2H]- 328.08027 169.2
[M]+ 307.10505 174.6
[M]- 307.10615 174.6
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.