CID 204331

16180-29-3

Structural Information

Molecular Formula
C27H37NO4
SMILES
CCCC[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/C27H37NO4/c1-6-7-10-24(2,29)19-16-25-11-12-27(19,31-5)23-26(25)13-14-28(3)20(25)15-17-8-9-18(30-4)22(32-23)21(17)26/h8-9,11-12,19-20,23,29H,6-7,10,13-16H2,1-5H3/t19-,20-,23-,24-,25?,26+,27+/m1/s1
InChIKey
ULWWURZOIIJQDA-FXLCSONSSA-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]hexan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.27225 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.279526 205.1
[M+Na]+ 462.261468 207.7
[M-H]- 438.264974 203.1
[M+NH4]+ 457.306073 224.6
[M+K]+ 478.235408 203.4
[M+H-H2O]+ 422.269510 192.9
[M+HCOO]- 484.270451 202.6
[M+CH3COO]- 498.286101 209.7
[M+Na-2H]- 460.246916 211.2
[M]+ 439.27170142 210.5
[M]- 439.27279858 210.5
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.