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
2
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]+ 326.130626 178.1
[M+Na]+ 348.112568 185.5
[M-H]- 324.116074 183.9
[M+NH4]+ 343.157173 194.3
[M+K]+ 364.086508 178.7
[M+H-H2O]+ 308.120610 177.6
[M+HCOO]- 370.121551 193.8
[M+CH3COO]- 384.137201 205.5
[M+Na-2H]- 346.098016 185.9
[M]+ 325.12280142 176.8
[M]- 325.12389858 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.