CID 6914406

3h-benz(e)inden-3-one, 1,2-dihydro-, o-(2-(bis(1-methylethyl)amino)ethyl)oxime, monohydrochloride

Structural Information

Molecular Formula
C21H28N2O
SMILES
CC(C)N(CCO/N=C\1/CCC2=C1C=CC3=CC=CC=C23)C(C)C
InChI
InChI=1S/C21H28N2O/c1-15(2)23(16(3)4)13-14-24-22-21-12-11-19-18-8-6-5-7-17(18)9-10-20(19)21/h5-10,15-16H,11-14H2,1-4H3/b22-21-
InChIKey
HNXAZSRJFJRAIH-DQRAZIAOSA-N
Compound name
N-[2-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxyethyl]-N-propan-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.22015 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.22743 182.3
[M+Na]+ 347.20937 186.2
[M-H]- 323.21287 189.1
[M+NH4]+ 342.25397 200.8
[M+K]+ 363.18331 183.4
[M+H-H2O]+ 307.21741 174.2
[M+HCOO]- 369.21835 204.0
[M+CH3COO]- 383.23400 222.8
[M+Na-2H]- 345.19482 183.2
[M]+ 324.21960 184.8
[M]- 324.22070 184.8
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.