CID 90399

24206-68-6

Structural Information

Molecular Formula
C16H17NO2
SMILES
C1=CC=C(C=C1)CNCCC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C16H17NO2/c18-15-9-5-4-8-14(15)16(19)10-11-17-12-13-6-2-1-3-7-13/h1-9,17-18H,10-12H2
InChIKey
GRGHCTYXHBHNLO-UHFFFAOYSA-N
Compound name
3-(benzylamino)-1-(2-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.12593 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 158.7
[M+Na]+ 278.11515 164.0
[M-H]- 254.11865 163.7
[M+NH4]+ 273.15975 174.2
[M+K]+ 294.08909 159.6
[M+H-H2O]+ 238.12319 150.9
[M+HCOO]- 300.12413 181.6
[M+CH3COO]- 314.13978 195.6
[M+Na-2H]- 276.10060 163.7
[M]+ 255.12538 157.8
[M]- 255.12648 157.8
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.