CID 3068832

83865-95-6

Structural Information

Molecular Formula
C16H32FN5O4
SMILES
CC(C1CCC(C(O1)OC2C(CC(C(C2O)N(C)C(=O)CN)F)N)N)N
InChI
InChI=1S/C16H32FN5O4/c1-7(19)11-4-3-9(20)16(25-11)26-15-10(21)5-8(17)13(14(15)24)22(2)12(23)6-18/h7-11,13-16,24H,3-6,18-21H2,1-2H3
InChIKey
JMSOLLQJKDEKCD-UHFFFAOYSA-N
Compound name
2-amino-N-[4-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-6-fluoro-2-hydroxycyclohexyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.24384 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.25112 194.2
[M+Na]+ 400.23306 194.6
[M-H]- 376.23656 197.0
[M+NH4]+ 395.27766 202.3
[M+K]+ 416.20700 195.0
[M+H-H2O]+ 360.24110 184.8
[M+HCOO]- 422.24204 207.5
[M+CH3COO]- 436.25769 236.1
[M+Na-2H]- 398.21851 186.0
[M]+ 377.24329 183.2
[M]- 377.24439 183.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe