CID 68085257

Fema no. 4788

Structural Information

Molecular Formula
C22H17NO3
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H17NO3/c24-22(14-12-17-11-13-20-21(15-17)26-16-25-20)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15H,16H2/b14-12+
InChIKey
KVLXSHZWAOZSIU-WYMLVPIESA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-N,N-diphenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

134
Patents

343.12085 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12813 181.2
[M+Na]+ 366.11007 195.9
[M+NH4]+ 361.15467 189.8
[M+K]+ 382.08401 189.7
[M-H]- 342.11357 191.0
[M+Na-2H]- 364.09552 190.2
[M]+ 343.12030 186.2
[M]- 343.12140 186.2
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

patents stripe