CID 194399

Sporaricin a

Structural Information

Molecular Formula
C17H35N5O5
SMILES
CC(C1CCC(C(O1)OC2C(CC(C(C2O)N(C)C(=O)CN)OC)N)N)N
InChI
InChI=1S/C17H35N5O5/c1-8(19)11-5-4-9(20)17(26-11)27-16-10(21)6-12(25-3)14(15(16)24)22(2)13(23)7-18/h8-12,14-17,24H,4-7,18-21H2,1-3H3
InChIKey
VMUGJEXITMIYRW-UHFFFAOYSA-N
Compound name
2-amino-N-[4-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

20
Patents

389.26382 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.27110 197.2
[M+Na]+ 412.25304 196.9
[M-H]- 388.25654 201.2
[M+NH4]+ 407.29764 204.8
[M+K]+ 428.22698 198.4
[M+H-H2O]+ 372.26108 188.4
[M+HCOO]- 434.26202 211.4
[M+CH3COO]- 448.27767 238.9
[M+Na-2H]- 410.23849 189.5
[M]+ 389.26327 189.2
[M]- 389.26437 189.2
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