CID 71748584

1260763-55-0

Structural Information

Molecular Formula
C14H19BrN2O2
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C=CC(=C2C1)N)Br
InChI
InChI=1S/C14H19BrN2O2/c1-14(2,3)19-13(18)17-7-6-9-10(8-17)12(16)5-4-11(9)15/h4-5H,6-8,16H2,1-3H3
InChIKey
DPCDGWCFUVLWBY-UHFFFAOYSA-N
Compound name
tert-butyl 8-amino-5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

326.063 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07028 166.1
[M+Na]+ 349.05222 167.5
[M+NH4]+ 344.09682 169.8
[M+K]+ 365.02616 168.5
[M-H]- 325.05572 165.9
[M+Na-2H]- 347.03767 166.8
[M]+ 326.06245 164.9
[M]- 326.06355 164.9
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

patents stripe