CID 49768194

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

Structural Information

Molecular Formula
C21H24N2O3
SMILES
COC1=CC\2=C(C=C1)OC3(CCN(CC3)CC4=CC=CC=C4)C/C2=N\O
InChI
InChI=1S/C21H24N2O3/c1-25-17-7-8-20-18(13-17)19(22-24)14-21(26-20)9-11-23(12-10-21)15-16-5-3-2-4-6-16/h2-8,13,24H,9-12,14-15H2,1H3/b22-19+
InChIKey
XABACWGKNRYWAY-ZBJSNUHESA-N
Compound name
(NE)-N-(1'-benzyl-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.17868 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.18596 184.3
[M+Na]+ 375.16790 189.2
[M-H]- 351.17140 191.8
[M+NH4]+ 370.21250 196.8
[M+K]+ 391.14184 185.5
[M+H-H2O]+ 335.17594 173.2
[M+HCOO]- 397.17688 199.4
[M+CH3COO]- 411.19253 193.1
[M+Na-2H]- 373.15335 189.5
[M]+ 352.17813 180.6
[M]- 352.17923 180.6
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.