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]+ 341.165976 180.6
[M+Na]+ 363.147918 186.3
[M-H]- 339.151424 187.0
[M+NH4]+ 358.192523 193.7
[M+K]+ 379.121858 181.5
[M+H-H2O]+ 323.155960 168.9
[M+HCOO]- 385.156901 194.9
[M+CH3COO]- 399.172551 189.5
[M+Na-2H]- 361.133366 185.5
[M]+ 340.15815142 174.2
[M]- 340.15924858 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