CID 356228

38969-65-2

Structural Information

Molecular Formula
C18H25NO
SMILES
CN1CCC2=C(C1CC3=CC=C(C=C3)OC)CCCC2
InChI
InChI=1S/C18H25NO/c1-19-12-11-15-5-3-4-6-17(15)18(19)13-14-7-9-16(20-2)10-8-14/h7-10,18H,3-6,11-13H2,1-2H3
InChIKey
CRXXSGLBECOUQH-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]-2-methyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

271.1936 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.200876 166.5
[M+Na]+ 294.182818 171.3
[M-H]- 270.186324 171.3
[M+NH4]+ 289.227423 182.3
[M+K]+ 310.156758 166.8
[M+H-H2O]+ 254.190860 157.4
[M+HCOO]- 316.191801 182.3
[M+CH3COO]- 330.207451 176.5
[M+Na-2H]- 292.168266 169.1
[M]+ 271.19305142 162.8
[M]- 271.19414858 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe