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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe