CID 17753

Isoquinoline, 1,2,3,4-tetrahydro-1-(2-amino-4-fluorobenzyl)-2-methyl-, dihydrochloride

Structural Information

Molecular Formula
C17H19FN2
SMILES
CN1CCC2=CC=CC=C2C1CC3=C(C=C(C=C3)F)N
InChI
InChI=1S/C17H19FN2/c1-20-9-8-12-4-2-3-5-15(12)17(20)10-13-6-7-14(18)11-16(13)19/h2-7,11,17H,8-10,19H2,1H3
InChIKey
NLUAPZXHOITBQV-UHFFFAOYSA-N
Compound name
5-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.15323 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16051 164.3
[M+Na]+ 293.14245 178.4
[M+NH4]+ 288.18705 173.3
[M+K]+ 309.11639 169.4
[M-H]- 269.14595 168.9
[M+Na-2H]- 291.12790 171.8
[M]+ 270.15268 167.6
[M]- 270.15378 167.6
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.