CID 3021335

1-(4-((1h-indol-3-ylmethylene)amino)phenyl)-3-(4-morpholinyl)-1-propanone

Structural Information

Molecular Formula
C22H23N3O2
SMILES
C1COCCN1CCC(=O)C2=CC=C(C=C2)N=CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C22H23N3O2/c26-22(9-10-25-11-13-27-14-12-25)17-5-7-19(8-6-17)23-15-18-16-24-21-4-2-1-3-20(18)21/h1-8,15-16,24H,9-14H2
InChIKey
KIOQQJNMBHVSBC-UHFFFAOYSA-N
Compound name
1-[4-(1H-indol-3-ylmethylideneamino)phenyl]-3-morpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.17902 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.18630 187.9
[M+Na]+ 384.16824 201.5
[M+NH4]+ 379.21284 195.1
[M+K]+ 400.14218 194.9
[M-H]- 360.17174 194.7
[M+Na-2H]- 382.15369 195.6
[M]+ 361.17847 191.7
[M]- 361.17957 191.7
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.