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]+ 254.15395 159.4
[M+Na]+ 276.13589 166.4
[M-H]- 252.13939 163.9
[M+NH4]+ 271.18049 175.4
[M+K]+ 292.10983 160.9
[M+H-H2O]+ 236.14393 151.0
[M+HCOO]- 298.14487 177.0
[M+CH3COO]- 312.16052 170.4
[M+Na-2H]- 274.12134 164.3
[M]+ 253.14612 156.5
[M]- 253.14722 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