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]+ 440.27953 205.1
[M+Na]+ 462.26147 207.7
[M-H]- 438.26497 203.1
[M+NH4]+ 457.30607 224.6
[M+K]+ 478.23541 203.4
[M+H-H2O]+ 422.26951 192.9
[M+HCOO]- 484.27045 202.6
[M+CH3COO]- 498.28610 209.7
[M+Na-2H]- 460.24692 211.2
[M]+ 439.27170 210.5
[M]- 439.27280 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.