CID 144746

Cid 6993119

Structural Information

Molecular Formula
C14H20N2O3
SMILES
CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)N
InChI
InChI=1S/C14H20N2O3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8,15H2,1-2H3,(H,16,17)(H,18,19)
InChIKey
GJNDXQBALKCYSZ-UHFFFAOYSA-N
Compound name
2-[(2-amino-3-methylbutanoyl)amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

1888
Patents

264.1474 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.154676 164.6
[M+Na]+ 287.136618 166.8
[M-H]- 263.140124 165.5
[M+NH4]+ 282.181223 178.8
[M+K]+ 303.110558 165.6
[M+H-H2O]+ 247.144660 157.4
[M+HCOO]- 309.145601 183.4
[M+CH3COO]- 323.161251 201.6
[M+Na-2H]- 285.122066 162.8
[M]+ 264.14685142 161.4
[M]- 264.14794858 161.4
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.