CID 6602198

51478-20-7

Structural Information

Molecular Formula
C18H25NO
SMILES
C[C@@H]1[C@H]2CC3=C([C@@]1(CCCN2CC=C)C)C=C(C=C3)O
InChI
InChI=1S/C18H25NO/c1-4-9-19-10-5-8-18(3)13(2)17(19)11-14-6-7-15(20)12-16(14)18/h4,6-7,12-13,17,20H,1,5,8-11H2,2-3H3/t13-,17-,18-/m1/s1
InChIKey
RKZVIDMFRCGXGC-FSPWUOQZSA-N
Compound name
(1R,9R,14S)-1,14-dimethyl-10-prop-2-enyl-10-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1936 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.20088 164.3
[M+Na]+ 294.18282 170.5
[M-H]- 270.18632 166.4
[M+NH4]+ 289.22742 182.8
[M+K]+ 310.15676 168.1
[M+H-H2O]+ 254.19086 158.7
[M+HCOO]- 316.19180 176.9
[M+CH3COO]- 330.20745 174.1
[M+Na-2H]- 292.16827 168.4
[M]+ 271.19305 159.4
[M]- 271.19415 159.4
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.