CID 4398316

477333-86-1

Structural Information

Molecular Formula
C22H19NO3
SMILES
C1OC2=C(O1)C=C(C=C2)NCCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H19NO3/c24-20(12-13-23-19-10-11-21-22(14-19)26-15-25-21)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-11,14,23H,12-13,15H2
InChIKey
KOGYDZOKSCKNCX-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-ylamino)-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1365 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.143776 181.8
[M+Na]+ 368.125718 187.4
[M-H]- 344.129224 193.2
[M+NH4]+ 363.170323 193.9
[M+K]+ 384.099658 184.5
[M+H-H2O]+ 328.133760 173.0
[M+HCOO]- 390.134701 202.7
[M+CH3COO]- 404.150351 192.5
[M+Na-2H]- 366.111166 186.1
[M]+ 345.13595142 183.2
[M]- 345.13704858 183.2
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.