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 193.4
[M+Na]+ 418.23525 196.5
[M-H]- 394.23875 191.7
[M+NH4]+ 413.27985 214.5
[M+K]+ 434.20919 191.5
[M+H-H2O]+ 378.24329 181.1
[M+HCOO]- 440.24423 191.7
[M+CH3COO]- 454.25988 198.8
[M+Na-2H]- 416.22070 200.4
[M]+ 395.24548 196.5
[M]- 395.24658 196.5
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.