CID 52965

74192-77-1

Structural Information

Molecular Formula
C17H19NO
SMILES
CN1CCC2=C(C1)C(=CC=C2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C17H19NO/c1-18-10-9-13-5-4-8-16(17(13)12-18)14-6-3-7-15(11-14)19-2/h3-8,11H,9-10,12H2,1-2H3
InChIKey
CPMCGOWJYMTXDK-UHFFFAOYSA-N
Compound name
8-(3-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.14667 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.15395 159.2
[M+Na]+ 276.13589 166.5
[M-H]- 252.13939 165.0
[M+NH4]+ 271.18049 175.9
[M+K]+ 292.10983 161.9
[M+H-H2O]+ 236.14393 150.4
[M+HCOO]- 298.14487 178.2
[M+CH3COO]- 312.16052 170.8
[M+Na-2H]- 274.12134 164.5
[M]+ 253.14612 158.1
[M]- 253.14722 158.1
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