CID 333329

Carbobenzyloxy-l-seryl-l-tyrosine

Structural Information

Molecular Formula
C20H22N2O7
SMILES
C1=CC=C(C=C1)COC(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C20H22N2O7/c23-11-17(22-20(28)29-12-14-4-2-1-3-5-14)18(25)21-16(19(26)27)10-13-6-8-15(24)9-7-13/h1-9,16-17,23-24H,10-12H2,(H,21,25)(H,22,28)(H,26,27)
InChIKey
GXKYITDLDSANPE-UHFFFAOYSA-N
Compound name
3-(4-hydroxyphenyl)-2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

402.1427 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.14998 191.8
[M+Na]+ 425.13192 192.0
[M-H]- 401.13542 193.4
[M+NH4]+ 420.17652 198.4
[M+K]+ 441.10586 190.6
[M+H-H2O]+ 385.13996 182.7
[M+HCOO]- 447.14090 208.6
[M+CH3COO]- 461.15655 220.0
[M+Na-2H]- 423.11737 190.1
[M]+ 402.14215 190.8
[M]- 402.14325 190.8
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