CID 3024050

94230-89-4

Structural Information

Molecular Formula
C22H29NO2
SMILES
COC1=CC=C(C=C1)CC2C3=C(CCCC3)CCN2C(=O)C4CCC4
InChI
InChI=1S/C22H29NO2/c1-25-19-11-9-16(10-12-19)15-21-20-8-3-2-5-17(20)13-14-23(21)22(24)18-6-4-7-18/h9-12,18,21H,2-8,13-15H2,1H3
InChIKey
OOXMFCUTPBVMQD-UHFFFAOYSA-N
Compound name
cyclobutyl-[1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydro-1H-isoquinolin-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

339.21982 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 179.3
[M+Na]+ 362.20904 180.8
[M-H]- 338.21254 186.0
[M+NH4]+ 357.25364 185.4
[M+K]+ 378.18298 179.6
[M+H-H2O]+ 322.21708 164.0
[M+HCOO]- 384.21802 191.5
[M+CH3COO]- 398.23367 215.3
[M+Na-2H]- 360.19449 178.6
[M]+ 339.21927 182.8
[M]- 339.22037 182.8
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

patents stripe