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]+ 426.263896 200.8
[M+Na]+ 448.245838 203.9
[M-H]- 424.249344 199.1
[M+NH4]+ 443.290443 220.9
[M+K]+ 464.219778 199.8
[M+H-H2O]+ 408.253880 188.8
[M+HCOO]- 470.254821 198.7
[M+CH3COO]- 484.270471 205.9
[M+Na-2H]- 446.231286 207.4
[M]+ 425.25607142 206.0
[M]- 425.25716858 206.0
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

No patent data available for this compound.