CID 156086

Sannamycin a

Structural Information

Molecular Formula
C17H35N5O5
SMILES
CNC[C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@@H]([C@H]([C@H]2O)N(C)C(=O)CN)OC)N)N
InChI
InChI=1S/C17H35N5O5/c1-21-8-9-4-5-10(19)17(26-9)27-16-11(20)6-12(25-3)14(15(16)24)22(2)13(23)7-18/h9-12,14-17,21,24H,4-8,18-20H2,1-3H3/t9-,10+,11-,12-,14+,15+,16+,17+/m0/s1
InChIKey
NEFDRWXEVITQMN-JWYRXTSNSA-N
Compound name
2-amino-N-[(1S,2R,3R,4S,6S)-4-amino-3-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

109
Patents

389.26382 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.27110 195.5
[M+Na]+ 412.25304 197.3
[M+NH4]+ 407.29764 198.4
[M+K]+ 428.22698 196.5
[M-H]- 388.25654 199.1
[M+Na-2H]- 410.23849 193.1
[M]+ 389.26327 195.7
[M]- 389.26437 195.7
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