CID 6914386

7-bromo-3,4-dihydro-1-benzoxepin-o-(diethylaminoethyl)-5-one oxime hydrochloride

Structural Information

Molecular Formula
C16H23BrN2O2
SMILES
CCN(CC)CCO/N=C\1/CCCOC2=C1C=C(C=C2)Br
InChI
InChI=1S/C16H23BrN2O2/c1-3-19(4-2)9-11-21-18-15-6-5-10-20-16-8-7-13(17)12-14(15)16/h7-8,12H,3-6,9-11H2,1-2H3/b18-15-
InChIKey
WGVTVLRRYLRPEK-SDXDJHTJSA-N
Compound name
2-[(Z)-(7-bromo-3,4-dihydro-2H-1-benzoxepin-5-ylidene)amino]oxy-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.0943 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.10158 174.0
[M+Na]+ 377.08352 180.0
[M-H]- 353.08702 183.6
[M+NH4]+ 372.12812 190.0
[M+K]+ 393.05746 175.4
[M+H-H2O]+ 337.09156 172.0
[M+HCOO]- 399.09250 193.4
[M+CH3COO]- 413.10815 218.8
[M+Na-2H]- 375.06897 179.5
[M]+ 354.09375 191.3
[M]- 354.09485 191.3
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.