CID 202156

3-phenyl-n-salicylidenealanine

Structural Information

Molecular Formula
C16H15NO3
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)O)N=CC2=CC=CC=C2O
InChI
InChI=1S/C16H15NO3/c18-15-9-5-4-8-13(15)11-17-14(16(19)20)10-12-6-2-1-3-7-12/h1-9,11,14,18H,10H2,(H,19,20)/t14-/m0/s1
InChIKey
SPDLZINLBDKUKZ-AWEZNQCLSA-N
Compound name
(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

269.1052 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11248 162.5
[M+Na]+ 292.09442 174.6
[M+NH4]+ 287.13902 169.4
[M+K]+ 308.06836 168.2
[M-H]- 268.09792 165.9
[M+Na-2H]- 290.07987 170.2
[M]+ 269.10465 165.0
[M]- 269.10575 165.0
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