CID 107190

3901-17-5

Structural Information

Molecular Formula
C18H23NO2
SMILES
CC1C2CC3=C(C1(CCN2C(=O)C4CC4)C)C=C(C=C3)O
InChI
InChI=1S/C18H23NO2/c1-11-16-9-13-5-6-14(20)10-15(13)18(11,2)7-8-19(16)17(21)12-3-4-12/h5-6,10-12,16,20H,3-4,7-9H2,1-2H3
InChIKey
IMYFCLLEKFFDDC-UHFFFAOYSA-N
Compound name
cyclopropyl-(4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 171.8
[M+Na]+ 308.16210 180.1
[M-H]- 284.16560 175.9
[M+NH4]+ 303.20670 185.4
[M+K]+ 324.13604 175.1
[M+H-H2O]+ 268.17014 164.6
[M+HCOO]- 330.17108 183.3
[M+CH3COO]- 344.18673 181.2
[M+Na-2H]- 306.14755 174.8
[M]+ 285.17233 171.6
[M]- 285.17343 171.6
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.