CID 3640256

Dtxsid401167431

Structural Information

Molecular Formula
C25H26N2O
SMILES
CC(C1=CC=CC=C1)NC(=CC(=O)NC(C)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H26N2O/c1-19(21-12-6-3-7-13-21)26-24(23-16-10-5-11-17-23)18-25(28)27-20(2)22-14-8-4-9-15-22/h3-20,26H,1-2H3,(H,27,28)
InChIKey
RELZJOZXRBOZIZ-UHFFFAOYSA-N
Compound name
3-phenyl-N-(1-phenylethyl)-3-(1-phenylethylamino)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.2045 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.21178 193.0
[M+Na]+ 393.19372 193.6
[M-H]- 369.19722 200.8
[M+NH4]+ 388.23832 202.8
[M+K]+ 409.16766 188.1
[M+H-H2O]+ 353.20176 182.6
[M+HCOO]- 415.20270 213.4
[M+CH3COO]- 429.21835 223.2
[M+Na-2H]- 391.17917 193.8
[M]+ 370.20395 189.1
[M]- 370.20505 189.1
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.