CID 6914256

P-bromoacetophenone oxime beta-diethylaminoethyl ether hydrochloride

Structural Information

Molecular Formula
C14H21BrN2O
SMILES
CCN(CC)CCO/N=C(/C)\C1=CC=C(C=C1)Br
InChI
InChI=1S/C14H21BrN2O/c1-4-17(5-2)10-11-18-16-12(3)13-6-8-14(15)9-7-13/h6-9H,4-5,10-11H2,1-3H3/b16-12-
InChIKey
CYSLSQHMJDTSHL-VBKFSLOCSA-N
Compound name
2-[(Z)-1-(4-bromophenyl)ethylideneamino]oxy-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.08374 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09102 167.2
[M+Na]+ 335.07296 175.2
[M-H]- 311.07646 175.0
[M+NH4]+ 330.11756 186.2
[M+K]+ 351.04690 165.0
[M+H-H2O]+ 295.08100 164.4
[M+HCOO]- 357.08194 190.5
[M+CH3COO]- 371.09759 213.1
[M+Na-2H]- 333.05841 171.7
[M]+ 312.08319 188.9
[M]- 312.08429 188.9
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

No patent data available for this compound.