CID 57659685

912846-68-5

Structural Information

Molecular Formula
C14H19FN2O2
SMILES
CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1)F)N
InChI
InChI=1S/C14H19FN2O2/c1-14(2,3)19-13(18)17-5-4-9-7-12(16)11(15)6-10(9)8-17/h6-7H,4-5,8,16H2,1-3H3
InChIKey
SKNYBTIRSWCZMQ-UHFFFAOYSA-N
Compound name
tert-butyl 6-amino-7-fluoro-3,4-dihydro-1H-isoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

266.14307 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15035 162.2
[M+Na]+ 289.13229 169.3
[M-H]- 265.13579 163.4
[M+NH4]+ 284.17689 178.5
[M+K]+ 305.10623 166.4
[M+H-H2O]+ 249.14033 154.6
[M+HCOO]- 311.14127 178.1
[M+CH3COO]- 325.15692 200.2
[M+Na-2H]- 287.11774 165.2
[M]+ 266.14252 159.4
[M]- 266.14362 159.4
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