CID 6602240

63868-29-1

Structural Information

Molecular Formula
C19H27NO
SMILES
CCCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
InChI
InChI=1S/C19H27NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h6-7,13,16,18,21H,2-5,8-12H2,1H3/t16-,18+,19+/m0/s1
InChIKey
PESYYDZDKMYKDO-QXAKKESOSA-N
Compound name
(1R,9R,10R)-17-propyl-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

1
Patents

285.20926 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.21654 172.1
[M+Na]+ 308.19848 184.6
[M+NH4]+ 303.24308 183.9
[M+K]+ 324.17242 173.5
[M-H]- 284.20198 176.1
[M+Na-2H]- 306.18393 176.7
[M]+ 285.20871 175.3
[M]- 285.20981 175.3
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.