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 163.7
[M+Na]+ 293.14245 171.4
[M-H]- 269.14595 167.9
[M+NH4]+ 288.18705 179.5
[M+K]+ 309.11639 165.3
[M+H-H2O]+ 253.15049 154.1
[M+HCOO]- 315.15143 181.9
[M+CH3COO]- 329.16708 174.4
[M+Na-2H]- 291.12790 167.1
[M]+ 270.15268 159.0
[M]- 270.15378 159.0
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.