CID 68694

Benzaprinoxide

Structural Information

Molecular Formula
C20H20ClNO
SMILES
C[N+](C)(CCC=C1C2=C(C=CC3=CC=CC=C31)C(=CC=C2)Cl)[O-]
InChI
InChI=1S/C20H20ClNO/c1-22(2,23)14-6-10-17-16-8-4-3-7-15(16)12-13-19-18(17)9-5-11-20(19)21/h3-5,7-13H,6,14H2,1-2H3
InChIKey
CMPHKNLTWCBULI-UHFFFAOYSA-N
Compound name
3-(7-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene)-N,N-dimethylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.12335 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13063 178.1
[M+Na]+ 348.11257 185.5
[M-H]- 324.11607 183.9
[M+NH4]+ 343.15717 194.3
[M+K]+ 364.08651 178.7
[M+H-H2O]+ 308.12061 177.6
[M+HCOO]- 370.12155 193.8
[M+CH3COO]- 384.13720 205.5
[M+Na-2H]- 346.09802 185.9
[M]+ 325.12280 176.8
[M]- 325.12390 176.8
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.