CID 10019350

Beta-aminoarteether maleate

Structural Information

Molecular Formula
C17H29NO5
SMILES
C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OCCN)C
InChI
InChI=1S/C17H29NO5/c1-10-4-5-13-11(2)14(19-9-8-18)20-15-17(13)12(10)6-7-16(3,21-15)22-23-17/h10-15H,4-9,18H2,1-3H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1
InChIKey
HPGHCIXRRLNXRN-XQLAAWPRSA-N
Compound name
2-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

23
Patents

327.20456 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.21184 174.8
[M+Na]+ 350.19378 178.1
[M+NH4]+ 345.23838 182.3
[M+K]+ 366.16772 174.6
[M-H]- 326.19728 176.7
[M+Na-2H]- 348.17923 170.9
[M]+ 327.20401 176.0
[M]- 327.20511 176.0
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