CID 32952

5h-dibenzo(a,d)cyclohepten-5-one, o-(2-(dimethylamino)propyl)oxime, monohydrochloride

Structural Information

Molecular Formula
C20H22N2O
SMILES
CC(CON=C1C2=CC=CC=C2C=CC3=CC=CC=C31)N(C)C
InChI
InChI=1S/C20H22N2O/c1-15(22(2)3)14-23-21-20-18-10-6-4-8-16(18)12-13-17-9-5-7-11-19(17)20/h4-13,15H,14H2,1-3H3
InChIKey
OUHIJNOMRMDKPS-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxypropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17322 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 171.9
[M+Na]+ 329.16244 178.1
[M-H]- 305.16594 181.1
[M+NH4]+ 324.20704 188.9
[M+K]+ 345.13638 179.5
[M+H-H2O]+ 289.17048 165.6
[M+HCOO]- 351.17142 196.5
[M+CH3COO]- 365.18707 218.1
[M+Na-2H]- 327.14789 179.0
[M]+ 306.17267 173.9
[M]- 306.17377 173.9
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.