CID 11057568

Benzyl 2-amino-4-(benzyloxy)-5-methoxybenzoate

Structural Information

Molecular Formula
C22H21NO4
SMILES
COC1=C(C=C(C(=C1)C(=O)OCC2=CC=CC=C2)N)OCC3=CC=CC=C3
InChI
InChI=1S/C22H21NO4/c1-25-20-12-18(22(24)27-15-17-10-6-3-7-11-17)19(23)13-21(20)26-14-16-8-4-2-5-9-16/h2-13H,14-15,23H2,1H3
InChIKey
RYRBFKYVUCZMJW-UHFFFAOYSA-N
Compound name
benzyl 2-amino-5-methoxy-4-phenylmethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

363.14706 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.154336 187.4
[M+Na]+ 386.136278 193.1
[M-H]- 362.139784 196.4
[M+NH4]+ 381.180883 198.6
[M+K]+ 402.110218 189.1
[M+H-H2O]+ 346.144320 177.0
[M+HCOO]- 408.145261 210.5
[M+CH3COO]- 422.160911 217.5
[M+Na-2H]- 384.121726 189.6
[M]+ 363.14651142 190.1
[M]- 363.14760858 190.1
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

patents stripe