CID 68085257

2-propenamide, 3-(1,3-benzodioxol-5-yl)-n,n-diphenyl-, (2e)-

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

140
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 181.9
[M+Na]+ 366.11007 187.2
[M-H]- 342.11357 194.5
[M+NH4]+ 361.15467 194.4
[M+K]+ 382.08401 185.1
[M+H-H2O]+ 326.11811 172.9
[M+HCOO]- 388.11905 203.5
[M+CH3COO]- 402.13470 192.9
[M+Na-2H]- 364.09552 186.1
[M]+ 343.12030 183.2
[M]- 343.12140 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

patents stripe