CID 600053

Ns00018543

Structural Information

Molecular Formula
C22H24N2O2
SMILES
CC(=O)C=C(C1=CC=CC=C1)NCCNC(=CC(=O)C)C2=CC=CC=C2
InChI
InChI=1S/C22H24N2O2/c1-17(25)15-21(19-9-5-3-6-10-19)23-13-14-24-22(16-18(2)26)20-11-7-4-8-12-20/h3-12,15-16,23-24H,13-14H2,1-2H3
InChIKey
LXBQYLOHQJTPRY-UHFFFAOYSA-N
Compound name
4-[2-[(3-oxo-1-phenylbut-1-enyl)amino]ethylamino]-4-phenylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

348.18378 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.191056 187.6
[M+Na]+ 371.172998 188.9
[M-H]- 347.176504 192.6
[M+NH4]+ 366.217603 198.8
[M+K]+ 387.146938 184.0
[M+H-H2O]+ 331.181040 178.3
[M+HCOO]- 393.181981 208.5
[M+CH3COO]- 407.197631 218.9
[M+Na-2H]- 369.158446 187.3
[M]+ 348.18323142 185.4
[M]- 348.18432858 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.