CID 25052945

Methyl 4-amino-3-(benzyloxy)benzoate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
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 158.5
[M+Na]+ 280.09442 171.7
[M+NH4]+ 275.13902 166.2
[M+K]+ 296.06836 165.0
[M-H]- 256.09792 162.8
[M+Na-2H]- 278.07987 166.9
[M]+ 257.10465 161.5
[M]- 257.10575 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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