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 200.8
[M+Na]+ 448.24584 203.9
[M-H]- 424.24934 199.1
[M+NH4]+ 443.29044 220.9
[M+K]+ 464.21978 199.8
[M+H-H2O]+ 408.25388 188.8
[M+HCOO]- 470.25482 198.7
[M+CH3COO]- 484.27047 205.9
[M+Na-2H]- 446.23129 207.4
[M]+ 425.25607 206.0
[M]- 425.25717 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.