CID 160703

Amidinomycin

Structural Information

Molecular Formula

C₉H₁₈N₄O

SMILES

C1C[C@@H](C[C@@H]1C(=O)NCCC(=N)N)N

InChI

InChI=1S/C9H18N4O/c10-7-2-1-6(5-7)9(14)13-4-3-8(11)12/h6-7H,1-5,10H2,(H3,11,12)(H,13,14)/t6-,7+/m1/s1

InChIKey

YLJXZSWHZFXCDY-RQJHMYQMSA-N

Compound name

(1R,3S)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 551
Patents: 198.14806 Da
Monoisotopic Mass: -1.6
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]+	199.15534	145.5
[M+Na]+	221.13728	148.2
[M-H]-	197.14078	147.5
[M+NH4]+	216.18188	164.3
[M+K]+	237.11122	146.6
[M+H-H2O]+	181.14532	138.4
[M+HCOO]-	243.14626	169.1
[M+CH3COO]-	257.16191	193.8
[M+Na-2H]-	219.12273	145.6
[M]+	198.14751	137.1
[M]-	198.14861	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe