CID 213524

Brn 4917035

Structural Information

Molecular Formula
C25H33NO3
SMILES
CCC[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/C25H33NO3/c1-5-9-22(2,27)18-15-23-10-11-25(18,28-4)21-24(23)12-13-26(3)19(23)14-16-7-6-8-17(29-21)20(16)24/h6-8,10-11,18-19,21,27H,5,9,12-15H2,1-4H3/t18-,19-,21-,22-,23?,24+,25+/m1/s1
InChIKey
QRHQPCRIZNMZIZ-MZCCMHIRSA-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]pentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.24603 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.25331 196.6
[M+Na]+ 418.23525 206.4
[M+NH4]+ 413.27985 211.0
[M+K]+ 434.20919 195.0
[M-H]- 394.23875 197.4
[M+Na-2H]- 416.22070 194.9
[M]+ 395.24548 198.9
[M]- 395.24658 198.9
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.