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]+ 426.26390 202.3
[M+Na]+ 448.24584 211.3
[M+NH4]+ 443.29044 215.7
[M+K]+ 464.21978 200.7
[M-H]- 424.24934 202.2
[M+Na-2H]- 446.23129 199.5
[M]+ 425.25607 204.2
[M]- 425.25717 204.2
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.