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 166.9
[M+Na]+ 349.05222 167.7
[M+NH4]+ 344.09682 170.3
[M+K]+ 365.02616 168.6
[M-H]- 325.05572 166.2
[M+Na-2H]- 347.03767 167.6
[M]+ 326.06245 165.4
[M]- 326.06355 165.4
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