CID 154299335

7-methoxy-4-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C17H19NO
SMILES
CC1=CC=C(C=C1)C2CNCC3=C2C=CC(=C3)OC
InChI
InChI=1S/C17H19NO/c1-12-3-5-13(6-4-12)17-11-18-10-14-9-15(19-2)7-8-16(14)17/h3-9,17-18H,10-11H2,1-2H3
InChIKey
AAOKIRIBMZRQCI-UHFFFAOYSA-N
Compound name
7-methoxy-4-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14667 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.153946 159.4
[M+Na]+ 276.135888 166.4
[M-H]- 252.139394 163.9
[M+NH4]+ 271.180493 175.4
[M+K]+ 292.109828 160.9
[M+H-H2O]+ 236.143930 151.0
[M+HCOO]- 298.144871 177.0
[M+CH3COO]- 312.160521 170.4
[M+Na-2H]- 274.121336 164.3
[M]+ 253.14612142 156.5
[M]- 253.14721858 156.5
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