CID 535773

72549-87-2

Structural Information

Molecular Formula
C13H17BrN2O
SMILES
CC1CC(N=C(O1)NC2=CC=C(C=C2)Br)(C)C
InChI
InChI=1S/C13H17BrN2O/c1-9-8-13(2,3)16-12(17-9)15-11-6-4-10(14)5-7-11/h4-7,9H,8H2,1-3H3,(H,15,16)
InChIKey
LBTKQGDVAMPQOG-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.05243 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.05971 160.4
[M+Na]+ 319.04165 164.5
[M+NH4]+ 314.08625 166.5
[M+K]+ 335.01559 162.2
[M-H]- 295.04515 164.3
[M+Na-2H]- 317.02710 165.8
[M]+ 296.05188 161.2
[M]- 296.05298 161.2
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.