CID 5492906

7011-38-3

Structural Information

Molecular Formula
C20H29NO3
SMILES
CCOC1=C(C=CC2=C1[C@@]34CCCC[C@]3([C@@H](C2)N(CC4)C)O)OC
InChI
InChI=1S/C20H29NO3/c1-4-24-18-15(23-3)8-7-14-13-16-20(22)10-6-5-9-19(20,17(14)18)11-12-21(16)2/h7-8,16,22H,4-6,9-13H2,1-3H3/t16-,19+,20-/m1/s1
InChIKey
XQTNELVGEPXQFW-LSTHTHJFSA-N
Compound name
(1S,9R,10S)-3-ethoxy-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-10-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.21475 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.22203 181.6
[M+Na]+ 354.20397 186.9
[M-H]- 330.20747 183.8
[M+NH4]+ 349.24857 199.9
[M+K]+ 370.17791 182.6
[M+H-H2O]+ 314.21201 172.2
[M+HCOO]- 376.21295 191.0
[M+CH3COO]- 390.22860 189.9
[M+Na-2H]- 352.18942 185.3
[M]+ 331.21420 178.9
[M]- 331.21530 178.9
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.