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

0
Patents

396.1474 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.154676 196.1
[M+Na]+ 419.136618 203.8
[M-H]- 395.140124 204.7
[M+NH4]+ 414.181223 207.2
[M+K]+ 435.110558 196.1
[M+H-H2O]+ 379.144660 186.0
[M+HCOO]- 441.145601 218.1
[M+CH3COO]- 455.161251 205.7
[M+Na-2H]- 417.122066 198.1
[M]+ 396.14685142 198.0
[M]- 396.14794858 198.0
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