CID 49768199

Schembl12019172

Structural Information

Molecular Formula
C20H22N2O2
SMILES
C1CN(CCC12C/C(=N\O)/C3=CC=CC=C3O2)CC4=CC=CC=C4
InChI
InChI=1S/C20H22N2O2/c23-21-18-14-20(24-19-9-5-4-8-17(18)19)10-12-22(13-11-20)15-16-6-2-1-3-7-16/h1-9,23H,10-15H2/b21-18+
InChIKey
PCKQWRHZHVTANJ-DYTRJAOYSA-N
Compound name
(NE)-N-(1'-benzylspiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

322.16812 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 176.4
[M+Na]+ 345.15734 181.1
[M-H]- 321.16084 183.8
[M+NH4]+ 340.20194 190.0
[M+K]+ 361.13128 176.8
[M+H-H2O]+ 305.16538 165.5
[M+HCOO]- 367.16632 191.8
[M+CH3COO]- 381.18197 185.5
[M+Na-2H]- 343.14279 182.7
[M]+ 322.16757 170.6
[M]- 322.16867 170.6
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

patents stripe