CID 87183

Einecs 241-582-8

Structural Information

Molecular Formula
C16H15NO4
SMILES
C1=CC=C(C=C1)COC(=O)N[C@H](C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C16H15NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,20)(H,18,19)/t14-/m1/s1
InChIKey
RLDJWBVOZVJJOS-CQSZACIVSA-N
Compound name
(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

404
Patents

285.1001 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.107376 164.8
[M+Na]+ 308.089318 168.6
[M-H]- 284.092824 169.5
[M+NH4]+ 303.133923 178.4
[M+K]+ 324.063258 166.1
[M+H-H2O]+ 268.097360 156.5
[M+HCOO]- 330.098301 186.2
[M+CH3COO]- 344.113951 198.4
[M+Na-2H]- 306.074766 168.1
[M]+ 285.09955142 164.1
[M]- 285.10064858 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe