CID 5486134

63765-65-1

Structural Information

Molecular Formula
C19H27NO2
SMILES
C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCCO
InChI
InChI=1S/C19H27NO2/c21-11-3-9-20-10-8-19-7-2-1-4-16(19)18(20)12-14-5-6-15(22)13-17(14)19/h5-6,13,16,18,21-22H,1-4,7-12H2/t16-,18+,19+/m0/s1
InChIKey
XPJOVBFDVOURDB-QXAKKESOSA-N
Compound name
(1R,9R,10R)-17-(3-hydroxypropyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.2042 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.21148 175.3
[M+Na]+ 324.19342 186.7
[M+NH4]+ 319.23802 186.0
[M+K]+ 340.16736 176.4
[M-H]- 300.19692 178.2
[M+Na-2H]- 322.17887 178.8
[M]+ 301.20365 177.8
[M]- 301.20475 177.8
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.