CID 135612694

2-propen-1-one, 3-(2-methoxyphenyl)-1-(2-(((2-phenyl-1h-indol-3-yl)methylene)amino)phenyl)-(e,?)-

Structural Information

Molecular Formula
C31H24N2O2
SMILES
COC1=CC=CC=C1/C=C/C(=O)C2=CC=CC=C2N=CC3=C(NC4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C31H24N2O2/c1-35-30-18-10-5-11-22(30)19-20-29(34)25-15-7-8-16-27(25)32-21-26-24-14-6-9-17-28(24)33-31(26)23-12-3-2-4-13-23/h2-21,33H,1H3/b20-19+,32-21?
InChIKey
NSIKQXFBRMUWAQ-CIHCHXLVSA-N
Compound name
(E)-3-(2-methoxyphenyl)-1-[2-[(2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.18378 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.19106 216.4
[M+Na]+ 479.17300 234.1
[M+NH4]+ 474.21760 223.9
[M+K]+ 495.14694 224.0
[M-H]- 455.17650 225.7
[M+Na-2H]- 477.15845 228.4
[M]+ 456.18323 221.8
[M]- 456.18433 221.8
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.