CID 129973924

1824468-65-6

Structural Information

Molecular Formula
C14H19BrN2O2
SMILES
CC(C)(C)OC(=O)N1CCC(C2=C1C=CC(=C2)Br)N
InChI
InChI=1S/C14H19BrN2O2/c1-14(2,3)19-13(18)17-7-6-11(16)10-8-9(15)4-5-12(10)17/h4-5,8,11H,6-7,16H2,1-3H3
InChIKey
DFNQXMOSEUPBIY-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-6-bromo-3,4-dihydro-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.063 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07028 170.2
[M+Na]+ 349.05222 179.9
[M-H]- 325.05572 175.2
[M+NH4]+ 344.09682 187.7
[M+K]+ 365.02616 168.6
[M+H-H2O]+ 309.06026 169.2
[M+HCOO]- 371.06120 184.8
[M+CH3COO]- 385.07685 206.3
[M+Na-2H]- 347.03767 174.6
[M]+ 326.06245 187.1
[M]- 326.06355 187.1
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.