CID 836161

Methyl 2-{[(4-methylphenoxy)acetyl]amino}benzoate

Structural Information

Molecular Formula
C17H17NO4
SMILES
CC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C17H17NO4/c1-12-7-9-13(10-8-12)22-11-16(19)18-15-6-4-3-5-14(15)17(20)21-2/h3-10H,11H2,1-2H3,(H,18,19)
InChIKey
OTPFACOCJBENBU-UHFFFAOYSA-N
Compound name
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.11575 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12303 168.6
[M+Na]+ 322.10497 174.6
[M-H]- 298.10847 175.3
[M+NH4]+ 317.14957 183.1
[M+K]+ 338.07891 172.3
[M+H-H2O]+ 282.11301 160.2
[M+HCOO]- 344.11395 192.2
[M+CH3COO]- 358.12960 205.3
[M+Na-2H]- 320.09042 171.6
[M]+ 299.11520 171.6
[M]- 299.11630 171.6
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.