CID 131750790

Tyrosyl-gamma-glutamate

Structural Information

Molecular Formula
C14H19N3O5
SMILES
C1=CC(=CC=C1CC(C(=O)NC(=O)CCC(C(=O)O)N)N)O
InChI
InChI=1S/C14H19N3O5/c15-10(14(21)22)5-6-12(19)17-13(20)11(16)7-8-1-3-9(18)4-2-8/h1-4,10-11,18H,5-7,15-16H2,(H,21,22)(H,17,19,20)
InChIKey
NHXCEHCKISFORA-UHFFFAOYSA-N
Compound name
2-amino-5-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.13248 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13976 171.9
[M+Na]+ 332.12170 173.7
[M-H]- 308.12520 171.2
[M+NH4]+ 327.16630 183.0
[M+K]+ 348.09564 172.6
[M+H-H2O]+ 292.12974 164.2
[M+HCOO]- 354.13068 190.2
[M+CH3COO]- 368.14633 209.0
[M+Na-2H]- 330.10715 168.6
[M]+ 309.13193 167.6
[M]- 309.13303 167.6
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.