CID 7658852

297145-54-1

Structural Information

Molecular Formula
C26H26N2O3
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)OC)/C(=O)NCCC3=CC=CC=C3
InChI
InChI=1S/C26H26N2O3/c1-19-8-12-22(13-9-19)25(29)28-24(18-21-10-14-23(31-2)15-11-21)26(30)27-17-16-20-6-4-3-5-7-20/h3-15,18H,16-17H2,1-2H3,(H,27,30)(H,28,29)/b24-18-
InChIKey
MWJBYLHRLQIJPD-MOHJPFBDSA-N
Compound name
N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.19434 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.20162 203.4
[M+Na]+ 437.18356 205.6
[M-H]- 413.18706 211.8
[M+NH4]+ 432.22816 211.9
[M+K]+ 453.15750 200.5
[M+H-H2O]+ 397.19160 192.4
[M+HCOO]- 459.19254 224.9
[M+CH3COO]- 473.20819 230.6
[M+Na-2H]- 435.16901 203.4
[M]+ 414.19379 203.1
[M]- 414.19489 203.1
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.