CID 92030617

Ns00045311

Structural Information

Molecular Formula
C25H35NO5
SMILES
CC1C2CCC3C4CC5C(C4(CC(=O)C3C2CCC1OC(=O)C)C)(N=C(O5)C)C(=O)C
InChI
InChI=1S/C25H35NO5/c1-12-16-6-7-18-19-10-22-25(13(2)27,26-14(3)30-22)24(19,5)11-20(29)23(18)17(16)8-9-21(12)31-15(4)28/h12,16-19,21-23H,6-11H2,1-5H3
InChIKey
ZJWUDNPGNLKAQI-UHFFFAOYSA-N
Compound name
(8-acetyl-6,9,17-trimethyl-11-oxo-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-16-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.25153 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.258806 204.1
[M+Na]+ 452.240748 209.3
[M-H]- 428.244254 208.4
[M+NH4]+ 447.285353 222.6
[M+K]+ 468.214688 205.6
[M+H-H2O]+ 412.248790 198.7
[M+HCOO]- 474.249731 208.3
[M+CH3COO]- 488.265381 232.9
[M+Na-2H]- 450.226196 198.7
[M]+ 429.25098142 202.5
[M]- 429.25207858 202.5
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.