CID 341684

Leucylhistidine

Structural Information

Molecular Formula

C₁₂H₂₀N₄O₃

SMILES

CC(C)CC(C(=O)NC(CC1=CN=CN1)C(=O)O)N

InChI

InChI=1S/C12H20N4O3/c1-7(2)3-9(13)11(17)16-10(12(18)19)4-8-5-14-6-15-8/h5-7,9-10H,3-4,13H2,1-2H3,(H,14,15)(H,16,17)(H,18,19)

InChIKey

XWOBNBRUDDUEEY-UHFFFAOYSA-N

Compound name

2-[(2-amino-4-methylpentanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3503
Patents: 268.15353 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]+	269.160806	164.8
[M+Na]+	291.142748	167.1
[M-H]-	267.146254	162.2
[M+NH4]+	286.187353	177.3
[M+K]+	307.116688	165.7
[M+H-H2O]+	251.150790	156.6
[M+HCOO]-	313.151731	181.0
[M+CH3COO]-	327.167381	198.7
[M+Na-2H]-	289.128196	162.1
[M]+	268.15298142	160.8
[M]-	268.15407858	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe