CID 204330

16180-26-0

Structural Information

Molecular Formula
C26H35NO4
SMILES
CCC[C@](C)([C@H]1CC23C=C[C@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC)O4)C)OC)O
InChI
InChI=1S/C26H35NO4/c1-6-9-23(2,28)18-15-24-10-11-26(18,30-5)22-25(24)12-13-27(3)19(24)14-16-7-8-17(29-4)21(31-22)20(16)25/h7-8,10-11,18-19,22,28H,6,9,12-15H2,1-5H3/t18-,19-,22-,23-,24?,25+,26+/m1/s1
InChIKey
LOOHQOHHYOAWOS-WZNXZFSFSA-N
Compound name
(2R)-2-[(2S,6R,14R,15S,16R)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]pentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.25662 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.26390 202.7
[M+Na]+ 448.24584 212.2
[M+NH4]+ 443.29044 216.4
[M+K]+ 464.21978 201.2
[M-H]- 424.24934 203.1
[M+Na-2H]- 446.23129 200.3
[M]+ 425.25607 204.8
[M]- 425.25717 204.8
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.