CID 6381384

Beta-benzylaminochalcone

Structural Information

Molecular Formula
C22H19NO
SMILES
C1=CC=C(C=C1)CN/C(=C/C(=O)C2=CC=CC=C2)/C3=CC=CC=C3
InChI
InChI=1S/C22H19NO/c24-22(20-14-8-3-9-15-20)16-21(19-12-6-2-7-13-19)23-17-18-10-4-1-5-11-18/h1-16,23H,17H2/b21-16+
InChIKey
NJFZGEXLQPOXMP-LTGZKZEYSA-N
Compound name
(E)-3-(benzylamino)-1,3-diphenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.14667 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.15395 176.0
[M+Na]+ 336.13589 179.5
[M-H]- 312.13939 184.4
[M+NH4]+ 331.18049 188.7
[M+K]+ 352.10983 173.3
[M+H-H2O]+ 296.14393 166.2
[M+HCOO]- 358.14487 198.4
[M+CH3COO]- 372.16052 208.3
[M+Na-2H]- 334.12134 180.2
[M]+ 313.14612 173.0
[M]- 313.14722 173.0
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.