CID 16773701

1208889-22-8

Structural Information

Molecular Formula
C18H17NO2
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)O)NCC3=CC=CO3
InChI
InChI=1S/C18H17NO2/c20-16-10-8-15(9-11-16)18(14-5-2-1-3-6-14)19-13-17-7-4-12-21-17/h1-12,18-20H,13H2
InChIKey
HZXDNLZZANZGAF-UHFFFAOYSA-N
Compound name
4-[(furan-2-ylmethylamino)-phenylmethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12592 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 164.2
[M+Na]+ 302.11514 169.6
[M-H]- 278.11864 173.2
[M+NH4]+ 297.15974 178.8
[M+K]+ 318.08908 166.0
[M+H-H2O]+ 262.12318 156.1
[M+HCOO]- 324.12412 187.4
[M+CH3COO]- 338.13977 175.7
[M+Na-2H]- 300.10059 168.7
[M]+ 279.12537 163.5
[M]- 279.12647 163.5
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.