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]+ 415.201616 203.4
[M+Na]+ 437.183558 205.6
[M-H]- 413.187064 211.8
[M+NH4]+ 432.228163 211.9
[M+K]+ 453.157498 200.5
[M+H-H2O]+ 397.191600 192.4
[M+HCOO]- 459.192541 224.9
[M+CH3COO]- 473.208191 230.6
[M+Na-2H]- 435.169006 203.4
[M]+ 414.19379142 203.1
[M]- 414.19488858 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.