CID 5584800

Methanone, phenyl(6,7,8,9-tetrahydro-5h-benzocyclohepten-2-yl)-, o-(2-(dimethylamino)ethyl)oxime, monohydrochloride

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 182.1
[M+Na]+ 359.20937 183.3
[M-H]- 335.21287 191.5
[M+NH4]+ 354.25397 195.9
[M+K]+ 375.18331 184.7
[M+H-H2O]+ 319.21741 174.1
[M+HCOO]- 381.21835 203.4
[M+CH3COO]- 395.23400 221.8
[M+Na-2H]- 357.19482 185.2
[M]+ 336.21960 178.9
[M]- 336.22070 178.9
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.