CID 135570555

Brn 4552226

Structural Information

Molecular Formula
C25H20N2O2
SMILES
COC1=CC=CC=C1/C=C/C(=O)C2=CC=CC=C2N=CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C25H20N2O2/c1-29-25-13-7-2-8-18(25)14-15-24(28)21-10-4-6-12-23(21)27-17-19-16-26-22-11-5-3-9-20(19)22/h2-17,26H,1H3/b15-14+,27-17?
InChIKey
UAEPBBDPYXXSLZ-YVGNUJAISA-N
Compound name
(E)-1-[2-(1H-indol-3-ylmethylideneamino)phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.15247 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.15975 193.2
[M+Na]+ 403.14169 200.7
[M-H]- 379.14519 202.7
[M+NH4]+ 398.18629 205.5
[M+K]+ 419.11563 192.8
[M+H-H2O]+ 363.14973 182.7
[M+HCOO]- 425.15067 216.5
[M+CH3COO]- 439.16632 203.3
[M+Na-2H]- 401.12714 196.0
[M]+ 380.15192 195.1
[M]- 380.15302 195.1
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.