CID 3046088

61520-51-2

Structural Information

Molecular Formula
C26H35NO3
SMILES
CCCC[C@](C)([C@H]1CC23C=C[C@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=CC=C6)O4)C)OC)O
InChI
InChI=1S/C26H35NO3/c1-5-6-10-23(2,28)19-16-24-11-12-26(19,29-4)22-25(24)13-14-27(3)20(24)15-17-8-7-9-18(30-22)21(17)25/h7-9,11-12,19-20,22,28H,5-6,10,13-16H2,1-4H3/t19-,20-,22-,23-,24?,25+,26+/m1/s1
InChIKey
DNPHMTXZWVMBGB-ZYPYAABLSA-N
Compound name
(2R)-2-[(2S,6R,14R,15S,16R)-15-methoxy-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

409.2617 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.26898 200.8
[M+Na]+ 432.25092 210.4
[M+NH4]+ 427.29552 215.0
[M+K]+ 448.22486 198.8
[M-H]- 408.25442 201.5
[M+Na-2H]- 430.23637 198.8
[M]+ 409.26115 203.1
[M]- 409.26225 203.1
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.