CID 49768196

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

Structural Information

Molecular Formula
C27H28N2O3
SMILES
C1CN(CCC12C/C(=N\O)/C3=C(O2)C=CC(=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C27H28N2O3/c30-28-25-18-27(13-15-29(16-14-27)19-21-7-3-1-4-8-21)32-26-12-11-23(17-24(25)26)31-20-22-9-5-2-6-10-22/h1-12,17,30H,13-16,18-20H2/b28-25+
InChIKey
PJGKZLVQOAESEH-AZPGRJICSA-N
Compound name
(NE)-N-(1'-benzyl-6-phenylmethoxyspiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.21 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.21728 205.2
[M+Na]+ 451.19922 208.6
[M-H]- 427.20272 214.9
[M+NH4]+ 446.24382 213.6
[M+K]+ 467.17316 203.3
[M+H-H2O]+ 411.20726 191.5
[M+HCOO]- 473.20820 219.2
[M+CH3COO]- 487.22385 212.0
[M+Na-2H]- 449.18467 209.2
[M]+ 428.20945 200.4
[M]- 428.21055 200.4
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.