CID 203465

14521-97-2

Structural Information

Molecular Formula
C26H35NO4
SMILES
CCCC[C@](C)(C1CC23C=C[C@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)C)OC)O
InChI
InChI=1S/C26H35NO4/c1-5-6-9-23(2,29)18-15-24-10-11-26(18,30-4)22-25(24)12-13-27(3)19(24)14-16-7-8-17(28)21(31-22)20(16)25/h7-8,10-11,18-19,22,28-29H,5-6,9,12-15H2,1-4H3/t18?,19-,22-,23-,24?,25+,26+/m1/s1
InChIKey
LZTLVWCCEHZVHM-FMDULGSOSA-N
Compound name
(2S,6R,14R,15S)-19-[(2R)-2-hydroxyhexan-2-yl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.25662 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.263896 201.5
[M+Na]+ 448.245838 204.3
[M-H]- 424.249344 198.5
[M+NH4]+ 443.290443 221.0
[M+K]+ 464.219778 199.5
[M+H-H2O]+ 408.253880 190.0
[M+HCOO]- 470.254821 197.9
[M+CH3COO]- 484.270471 206.0
[M+Na-2H]- 446.231286 207.9
[M]+ 425.25607142 205.2
[M]- 425.25716858 205.2
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

No patent data available for this compound.