CID 3046180

3-phenylspiro(isobenzofuran-1(3h),4'-piperidin)-1'-amine

Structural Information

Molecular Formula
C18H20N2O
SMILES
C1CN(CCC12C3=CC=CC=C3C(O2)C4=CC=CC=C4)N
InChI
InChI=1S/C18H20N2O/c19-20-12-10-18(11-13-20)16-9-5-4-8-15(16)17(21-18)14-6-2-1-3-7-14/h1-9,17H,10-13,19H2
InChIKey
ZQBMIDLBCFJEFK-UHFFFAOYSA-N
Compound name
1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

280.15756 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.164836 165.3
[M+Na]+ 303.146778 171.7
[M-H]- 279.150284 173.2
[M+NH4]+ 298.191383 182.7
[M+K]+ 319.120718 167.2
[M+H-H2O]+ 263.154820 156.3
[M+HCOO]- 325.155761 182.9
[M+CH3COO]- 339.171411 176.1
[M+Na-2H]- 301.132226 169.8
[M]+ 280.15701142 159.7
[M]- 280.15810858 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe