CID 342468

Isoleucyltyrosine

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)N
InChI
InChI=1S/C15H22N2O4/c1-3-9(2)13(16)14(19)17-12(15(20)21)8-10-4-6-11(18)7-5-10/h4-7,9,12-13,18H,3,8,16H2,1-2H3,(H,17,19)(H,20,21)
InChIKey
MUFXDFWAJSPHIQ-UHFFFAOYSA-N
Compound name
2-[(2-amino-3-methylpentanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

294.15796 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16524 170.7
[M+Na]+ 317.14718 176.2
[M+NH4]+ 312.19178 174.4
[M+K]+ 333.12112 174.7
[M-H]- 293.15068 169.4
[M+Na-2H]- 315.13263 171.4
[M]+ 294.15741 170.3
[M]- 294.15851 170.3
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