CID 135612691

133381-39-2

Structural Information

Molecular Formula
C26H22N2O2
SMILES
CC1=C(C2=CC=CC=C2N1)C=NC3=CC=CC=C3C(=O)/C=C/C4=CC=CC=C4OC
InChI
InChI=1S/C26H22N2O2/c1-18-22(20-10-4-7-13-24(20)28-18)17-27-23-12-6-5-11-21(23)25(29)16-15-19-9-3-8-14-26(19)30-2/h3-17,28H,1-2H3/b16-15+,27-17?
InChIKey
UNQWYHPNDFEEGA-ZELSIJBSSA-N
Compound name
(E)-3-(2-methoxyphenyl)-1-[2-[(2-methyl-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

394.16812 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.17540 198.2
[M+Na]+ 417.15734 206.1
[M-H]- 393.16084 207.9
[M+NH4]+ 412.20194 210.2
[M+K]+ 433.13128 198.1
[M+H-H2O]+ 377.16538 187.7
[M+HCOO]- 439.16632 221.1
[M+CH3COO]- 453.18197 208.1
[M+Na-2H]- 415.14279 199.7
[M]+ 394.16757 200.8
[M]- 394.16867 200.8
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.