CID 135570551

Brn 5622297

Structural Information

Molecular Formula
C25H20N2O3
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)N=CC3=CNC4=CC=CC=C43)O
InChI
InChI=1S/C25H20N2O3/c1-30-25-14-17(7-13-24(25)29)6-12-23(28)18-8-10-20(11-9-18)26-15-19-16-27-22-5-3-2-4-21(19)22/h2-16,27,29H,1H3/b12-6+,26-15?
InChIKey
ZWHIRVUMDSIUBU-MQWGNZISSA-N
Compound name
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-[4-(1H-indol-3-ylmethylideneamino)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

396.1474 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.15468 197.7
[M+Na]+ 419.13662 212.9
[M+NH4]+ 414.18122 204.3
[M+K]+ 435.11056 205.5
[M-H]- 395.14012 203.5
[M+Na-2H]- 417.12207 206.6
[M]+ 396.14685 201.5
[M]- 396.14795 201.5
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

patents stripe