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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.15534 147.1
[M+Na]+ 221.13728 150.5
[M+NH4]+ 216.18188 152.9
[M+K]+ 237.11122 149.4
[M-H]- 197.14078 148.1
[M+Na-2H]- 219.12273 148.2
[M]+ 198.14751 146.9
[M]- 198.14861 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe