CID 3800205

Lr dipeptide

Structural Information

Molecular Formula

C₁₂H₂₅N₅O₃

SMILES

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)O)N

InChI

InChI=1S/C12H25N5O3/c1-7(2)6-8(13)10(18)17-9(11(19)20)4-3-5-16-12(14)15/h7-9H,3-6,13H2,1-2H3,(H,17,18)(H,19,20)(H4,14,15,16)

InChIKey

SENJXOPIZNYLHU-UHFFFAOYSA-N

Compound name

2-[(2-amino-4-methylpentanoyl)amino]-5-(diaminomethylideneamino)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 46635
Patents: 287.19574 Da
Monoisotopic Mass: -4.0
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]+	288.20302	171.4
[M+Na]+	310.18496	170.9
[M+NH4]+	305.22956	173.1
[M+K]+	326.15890	171.6
[M-H]-	286.18846	168.5
[M+Na-2H]-	308.17041	167.9
[M]+	287.19519	169.2
[M]-	287.19629	169.2

Literature stripe

literature stripe

Patent stripe

patents stripe