CID 37377

36113-31-2

Structural Information

Molecular Formula
C18H18FNO2
SMILES
COC1=C(C=C2C(=C1)CCN=C2CC3=CC(=CC=C3)F)OC
InChI
InChI=1S/C18H18FNO2/c1-21-17-10-13-6-7-20-16(15(13)11-18(17)22-2)9-12-4-3-5-14(19)8-12/h3-5,8,10-11H,6-7,9H2,1-2H3
InChIKey
AESACJLNDOHAKA-UHFFFAOYSA-N
Compound name
1-[(3-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.13217 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13945 169.5
[M+Na]+ 322.12139 178.3
[M-H]- 298.12489 174.5
[M+NH4]+ 317.16599 184.6
[M+K]+ 338.09533 173.4
[M+H-H2O]+ 282.12943 159.4
[M+HCOO]- 344.13037 188.7
[M+CH3COO]- 358.14602 205.9
[M+Na-2H]- 320.10684 173.9
[M]+ 299.13162 170.9
[M]- 299.13272 170.9
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.