CID 47600

N-cbz-o-benzyl-l-tyrosine sodium

Structural Information

Molecular Formula
C24H23NO5
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C24H23NO5/c26-23(27)22(25-24(28)30-17-20-9-5-2-6-10-20)15-18-11-13-21(14-12-18)29-16-19-7-3-1-4-8-19/h1-14,22H,15-17H2,(H,25,28)(H,26,27)/t22-/m0/s1
InChIKey
IPAODWFPTVIUSZ-QFIPXVFZSA-N
Compound name
(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

405.15762 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.16490 197.0
[M+Na]+ 428.14684 198.9
[M-H]- 404.15034 204.1
[M+NH4]+ 423.19144 205.0
[M+K]+ 444.12078 195.3
[M+H-H2O]+ 388.15488 186.4
[M+HCOO]- 450.15582 216.9
[M+CH3COO]- 464.17147 221.7
[M+Na-2H]- 426.13229 198.1
[M]+ 405.15707 198.1
[M]- 405.15817 198.1
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

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