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]+ 337.227426 182.1
[M+Na]+ 359.209368 183.3
[M-H]- 335.212874 191.5
[M+NH4]+ 354.253973 195.9
[M+K]+ 375.183308 184.7
[M+H-H2O]+ 319.217410 174.1
[M+HCOO]- 381.218351 203.4
[M+CH3COO]- 395.234001 221.8
[M+Na-2H]- 357.194816 185.2
[M]+ 336.21960142 178.9
[M]- 336.22069858 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.