CID 43380303

Methyl 3-amino-4-(benzyloxy)benzoate

Structural Information

Molecular Formula
C15H15NO3
SMILES
COC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)N
InChI
InChI=1S/C15H15NO3/c1-18-15(17)12-7-8-14(13(16)9-12)19-10-11-5-3-2-4-6-11/h2-9H,10,16H2,1H3
InChIKey
CXRFEVOHNGTEOG-UHFFFAOYSA-N
Compound name
methyl 3-amino-4-phenylmethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

257.1052 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 157.9
[M+Na]+ 280.09442 164.9
[M-H]- 256.09792 164.3
[M+NH4]+ 275.13902 174.1
[M+K]+ 296.06836 162.1
[M+H-H2O]+ 240.10246 150.0
[M+HCOO]- 302.10340 182.2
[M+CH3COO]- 316.11905 197.1
[M+Na-2H]- 278.07987 162.1
[M]+ 257.10465 159.2
[M]- 257.10575 159.2
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