CID 17758659

219862-16-5

Structural Information

Molecular Formula
C14H19BrN2O2
SMILES
CC(C)(C)OC(=O)NC1CC2=C(C=CC(=C2)Br)NC1
InChI
InChI=1S/C14H19BrN2O2/c1-14(2,3)19-13(18)17-11-7-9-6-10(15)4-5-12(9)16-8-11/h4-6,11,16H,7-8H2,1-3H3,(H,17,18)
InChIKey
UHDPFPMLNYYFAL-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-bromo-1,2,3,4-tetrahydroquinolin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

326.063 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07028 170.0
[M+Na]+ 349.05222 178.3
[M-H]- 325.05572 173.7
[M+NH4]+ 344.09682 186.7
[M+K]+ 365.02616 166.5
[M+H-H2O]+ 309.06026 169.0
[M+HCOO]- 371.06120 183.8
[M+CH3COO]- 385.07685 203.4
[M+Na-2H]- 347.03767 175.6
[M]+ 326.06245 185.7
[M]- 326.06355 185.7
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