CID 3052401

Ka-6606-iv

Structural Information

Molecular Formula
C18H35N5O6
SMILES
CC(C1CCC(C(O1)OC2C(CC(C(C2O)N(C)C(=O)CNC=O)OC)N)N)N
InChI
InChI=1S/C18H35N5O6/c1-9(19)12-5-4-10(20)18(28-12)29-17-11(21)6-13(27-3)15(16(17)26)23(2)14(25)7-22-8-24/h8-13,15-18,26H,4-7,19-21H2,1-3H3,(H,22,24)
InChIKey
VFIPOZSOMJAAJD-UHFFFAOYSA-N
Compound name
N-[4-amino-3-[3-amino-6-(1-aminoethyl)oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-2-formamido-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

417.25873 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.26601 201.5
[M+Na]+ 440.24795 200.6
[M-H]- 416.25145 205.7
[M+NH4]+ 435.29255 207.9
[M+K]+ 456.22189 202.4
[M+H-H2O]+ 400.25599 192.3
[M+HCOO]- 462.25693 216.2
[M+CH3COO]- 476.27258 244.0
[M+Na-2H]- 438.23340 194.7
[M]+ 417.25818 195.4
[M]- 417.25928 195.4
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