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]+ 300.12303 169.3
[M+Na]+ 322.10497 173.4
[M-H]- 298.10847 176.8
[M+NH4]+ 317.14957 183.8
[M+K]+ 338.07891 173.0
[M+H-H2O]+ 282.11301 160.6
[M+HCOO]- 344.11395 192.5
[M+CH3COO]- 358.12960 206.5
[M+Na-2H]- 320.09042 171.8
[M]+ 299.11520 172.1
[M]- 299.11630 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.