CID 5184707

Carbobenzyloxy-l-seryl-l-tyrosinamide

Structural Information

Molecular Formula
C20H23N3O6
SMILES
C1=CC=C(C=C1)COC(=O)NC(CO)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N
InChI
InChI=1S/C20H23N3O6/c21-18(26)16(10-13-6-8-15(25)9-7-13)22-19(27)17(11-24)23-20(28)29-12-14-4-2-1-3-5-14/h1-9,16-17,24-25H,10-12H2,(H2,21,26)(H,22,27)(H,23,28)
InChIKey
IDVLTNHLGZDZIP-UHFFFAOYSA-N
Compound name
benzyl N-[1-[[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1587 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.16598 193.0
[M+Na]+ 424.14792 192.9
[M-H]- 400.15142 195.4
[M+NH4]+ 419.19252 199.9
[M+K]+ 440.12186 191.6
[M+H-H2O]+ 384.15596 183.5
[M+HCOO]- 446.15690 211.5
[M+CH3COO]- 460.17255 225.0
[M+Na-2H]- 422.13337 191.1
[M]+ 401.15815 190.7
[M]- 401.15925 190.7
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

No patent data available for this compound.