CID 3048234

Naphthalene, 8-isobutyryl-5-methoxy-1-(1-pyrrolidinyl)-1,2,3,4-tetrahydro-, hydrochloride

Structural Information

Molecular Formula
C19H27NO2
SMILES
CC(C)C(=O)C1=C2C(CCCC2=C(C=C1)OC)N3CCCC3
InChI
InChI=1S/C19H27NO2/c1-13(2)19(21)15-9-10-17(22-3)14-7-6-8-16(18(14)15)20-11-4-5-12-20/h9-10,13,16H,4-8,11-12H2,1-3H3
InChIKey
OHYOTDQWAQAQGE-UHFFFAOYSA-N
Compound name
1-(4-methoxy-8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.2042 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.21148 174.3
[M+Na]+ 324.19342 184.7
[M+NH4]+ 319.23802 182.4
[M+K]+ 340.16736 179.9
[M-H]- 300.19692 177.3
[M+Na-2H]- 322.17887 177.8
[M]+ 301.20365 176.4
[M]- 301.20475 176.4
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.