CID 5584800

O-(2-dimethylaminoethyl)-2-benzoyl-6,7,8,9-tetrahydro-5h-benzocycloheptenoxime hydrochloride

Structural Information

Molecular Formula
C22H28N2O
SMILES
CN(C)CCO/N=C(\C1=CC=CC=C1)/C2=CC3=C(CCCCC3)C=C2
InChI
InChI=1S/C22H28N2O/c1-24(2)15-16-25-23-22(19-10-6-4-7-11-19)21-14-13-18-9-5-3-8-12-20(18)17-21/h4,6-7,10-11,13-14,17H,3,5,8-9,12,15-16H2,1-2H3/b23-22+
InChIKey
YDRSXPIDRWHNQO-GHVJWSGMSA-N
Compound name
N,N-dimethyl-2-[(E)-[phenyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)methylidene]amino]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.22015 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.22743 184.4
[M+Na]+ 359.20937 194.3
[M+NH4]+ 354.25397 192.4
[M+K]+ 375.18331 187.0
[M-H]- 335.21287 190.5
[M+Na-2H]- 357.19482 191.9
[M]+ 336.21960 187.6
[M]- 336.22070 187.6
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.