CID 3021330

2-(3,4-dimethoxyphenyl)-1-(4-((1h-indol-3-ylmethylene)amino)phenyl)-2-propen-1-one

Structural Information

Molecular Formula
C26H22N2O3
SMILES
COC1=C(C=C(C=C1)C(=C)C(=O)C2=CC=C(C=C2)N=CC3=CNC4=CC=CC=C43)OC
InChI
InChI=1S/C26H22N2O3/c1-17(19-10-13-24(30-2)25(14-19)31-3)26(29)18-8-11-21(12-9-18)27-15-20-16-28-23-7-5-4-6-22(20)23/h4-16,28H,1H2,2-3H3
InChIKey
SNBPXDWCFBYQQF-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-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

410.16306 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.17034 200.8
[M+Na]+ 433.15228 207.9
[M-H]- 409.15578 210.5
[M+NH4]+ 428.19688 211.8
[M+K]+ 449.12622 201.4
[M+H-H2O]+ 393.16032 190.3
[M+HCOO]- 455.16126 222.8
[M+CH3COO]- 469.17691 228.2
[M+Na-2H]- 431.13773 201.4
[M]+ 410.16251 204.3
[M]- 410.16361 204.3
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.