CID 37373

36113-29-8

Structural Information

Molecular Formula
C18H20FNO2
SMILES
COC1=C(C=C2C(NCCC2=C1)CC3=CC=CC=C3F)OC
InChI
InChI=1S/C18H20FNO2/c1-21-17-10-12-7-8-20-16(14(12)11-18(17)22-2)9-13-5-3-4-6-15(13)19/h3-6,10-11,16,20H,7-9H2,1-2H3
InChIKey
OQLSPGGCMMVOII-UHFFFAOYSA-N
Compound name
1-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1478 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15508 170.8
[M+Na]+ 324.13702 178.1
[M-H]- 300.14052 174.0
[M+NH4]+ 319.18162 185.0
[M+K]+ 340.11096 172.6
[M+H-H2O]+ 284.14506 161.1
[M+HCOO]- 346.14600 187.1
[M+CH3COO]- 360.16165 203.8
[M+Na-2H]- 322.12247 173.8
[M]+ 301.14725 169.0
[M]- 301.14835 169.0
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

No patent data available for this compound.