CID 49768197

1'-benzyl-6-chloro-spiro[chromane-2,4'-piperidine]-4-one oxime

Structural Information

Molecular Formula
C20H21ClN2O2
SMILES
C1CN(CCC12C/C(=N\O)/C3=C(O2)C=CC(=C3)Cl)CC4=CC=CC=C4
InChI
InChI=1S/C20H21ClN2O2/c21-16-6-7-19-17(12-16)18(22-24)13-20(25-19)8-10-23(11-9-20)14-15-4-2-1-3-5-15/h1-7,12,24H,8-11,13-14H2/b22-18+
InChIKey
XGSNLKRZZFXCNI-RELWKKBWSA-N
Compound name
(NE)-N-(1'-benzyl-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.12915 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13643 184.0
[M+Na]+ 379.11837 190.4
[M-H]- 355.12187 191.5
[M+NH4]+ 374.16297 197.5
[M+K]+ 395.09231 184.7
[M+H-H2O]+ 339.12641 173.9
[M+HCOO]- 401.12735 194.9
[M+CH3COO]- 415.14300 193.1
[M+Na-2H]- 377.10382 189.1
[M]+ 356.12860 181.0
[M]- 356.12970 181.0
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.