CID 4989391

28707-21-3

Structural Information

Molecular Formula
C19H17NO
SMILES
C1=CC=C(C=C1)C(=O)CCNC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C19H17NO/c21-19(16-7-2-1-3-8-16)12-13-20-18-11-10-15-6-4-5-9-17(15)14-18/h1-11,14,20H,12-13H2
InChIKey
LWPZBNGSOXQTAZ-UHFFFAOYSA-N
Compound name
3-(naphthalen-2-ylamino)-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.131 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.13828 163.5
[M+Na]+ 298.12022 169.3
[M-H]- 274.12372 170.4
[M+NH4]+ 293.16482 179.7
[M+K]+ 314.09416 163.9
[M+H-H2O]+ 258.12826 155.0
[M+HCOO]- 320.12920 186.3
[M+CH3COO]- 334.14485 174.8
[M+Na-2H]- 296.10567 170.6
[M]+ 275.13045 162.7
[M]- 275.13155 162.7
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.