CID 167023

14186-98-2

Structural Information

Molecular Formula
C27H37NO4
SMILES
CC(C)CC[C@](C)([C@H]1C[C@@]23C=C[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)C)OC)O
InChI
InChI=1S/C27H37NO4/c1-16(2)8-9-24(3,30)19-15-25-10-11-27(19,31-5)23-26(25)12-13-28(4)20(25)14-17-6-7-18(29)22(32-23)21(17)26/h6-7,10-11,16,19-20,23,29-30H,8-9,12-15H2,1-5H3/t19-,20-,23-,24-,25-,26+,27-/m1/s1
InChIKey
RNJLBSYMAWEFGY-PMEKXCSPSA-N
Compound name
(1R,2S,6R,14R,15R,19R)-19-[(2R)-2-hydroxy-5-methylhexan-2-yl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

0
Patents

439.27225 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.27953 205.8
[M+Na]+ 462.26147 214.1
[M+NH4]+ 457.30607 218.8
[M+K]+ 478.23541 204.1
[M-H]- 438.26497 205.4
[M+Na-2H]- 460.24692 202.4
[M]+ 439.27170 207.4
[M]- 439.27280 207.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.