CID 213360

Brn 4917254

Structural Information

Molecular Formula
C27H37NO3
SMILES
CCCCC[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/C27H37NO3/c1-5-6-7-11-24(2,29)20-17-25-12-13-27(20,30-4)23-26(25)14-15-28(3)21(25)16-18-9-8-10-19(31-23)22(18)26/h8-10,12-13,20-21,23,29H,5-7,11,14-17H2,1-4H3/t20-,21-,23-,24-,25?,26+,27+/m1/s1
InChIKey
QUQSQOGREJSRNA-CYPNZPRNSA-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]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.27734 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.28462 205.0
[M+Na]+ 446.26656 214.4
[M+NH4]+ 441.31116 219.0
[M+K]+ 462.24050 202.5
[M-H]- 422.27006 205.6
[M+Na-2H]- 444.25201 202.8
[M]+ 423.27679 207.2
[M]- 423.27789 207.2
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.