CID 49768198

Schembl12019270

Structural Information

Molecular Formula
C20H21FN2O2
SMILES
C1CN(CCC12C/C(=N\O)/C3=C(O2)C=CC(=C3)F)CC4=CC=CC=C4
InChI
InChI=1S/C20H21FN2O2/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
VJQVWBVJRHKXCG-RELWKKBWSA-N
Compound name
(NE)-N-(1'-benzyl-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

340.1587 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16598 180.6
[M+Na]+ 363.14792 186.3
[M-H]- 339.15142 187.0
[M+NH4]+ 358.19252 193.7
[M+K]+ 379.12186 181.5
[M+H-H2O]+ 323.15596 168.9
[M+HCOO]- 385.15690 194.9
[M+CH3COO]- 399.17255 189.5
[M+Na-2H]- 361.13337 185.5
[M]+ 340.15815 174.2
[M]- 340.15925 174.2
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