CID 3068544

83529-31-1

Structural Information

Molecular Formula
C17H17NO4
SMILES
COC(=O)C(C1=CC=CC=C1)N(C2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C17H17NO4/c1-21-16(19)15(13-9-5-3-6-10-13)18(17(20)22-2)14-11-7-4-8-12-14/h3-12,15H,1-2H3
InChIKey
HYMJHJGHMRYTRY-UHFFFAOYSA-N
Compound name
methyl 2-(N-methoxycarbonylanilino)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.11575 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.123026 169.3
[M+Na]+ 322.104968 173.4
[M-H]- 298.108474 176.8
[M+NH4]+ 317.149573 183.8
[M+K]+ 338.078908 173.0
[M+H-H2O]+ 282.113010 160.6
[M+HCOO]- 344.113951 192.5
[M+CH3COO]- 358.129601 206.5
[M+Na-2H]- 320.090416 171.8
[M]+ 299.11520142 172.1
[M]- 299.11629858 172.1
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.