CID 3042999

Jpb 17

Structural Information

Molecular Formula
C15H15NO2
SMILES
CNC1=C(C=C(C=C1)C(=O)CC2=CC=CC=C2)O
InChI
InChI=1S/C15H15NO2/c1-16-13-8-7-12(10-15(13)18)14(17)9-11-5-3-2-4-6-11/h2-8,10,16,18H,9H2,1H3
InChIKey
MJBVMYYUTKRHQL-UHFFFAOYSA-N
Compound name
1-[3-hydroxy-4-(methylamino)phenyl]-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.11028 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 154.1
[M+Na]+ 264.09950 160.7
[M-H]- 240.10300 159.6
[M+NH4]+ 259.14410 170.5
[M+K]+ 280.07344 156.7
[M+H-H2O]+ 224.10754 146.7
[M+HCOO]- 286.10848 177.3
[M+CH3COO]- 300.12413 193.8
[M+Na-2H]- 262.08495 158.9
[M]+ 241.10973 153.3
[M]- 241.11083 153.3
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.