CID 3021334

1-(4-((1h-indol-3-ylmethylene)amino)phenyl)-3-(2-methyl-1-piperidinyl)-1-propanone

Structural Information

Molecular Formula
C24H27N3O
SMILES
CC1CCCCN1CCC(=O)C2=CC=C(C=C2)N=CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C24H27N3O/c1-18-6-4-5-14-27(18)15-13-24(28)19-9-11-21(12-10-19)25-16-20-17-26-23-8-3-2-7-22(20)23/h2-3,7-12,16-18,26H,4-6,13-15H2,1H3
InChIKey
RKLCSWZMMVIAEH-UHFFFAOYSA-N
Compound name
1-[4-(1H-indol-3-ylmethylideneamino)phenyl]-3-(2-methylpiperidin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.21542 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.22270 193.7
[M+Na]+ 396.20464 207.3
[M+NH4]+ 391.24924 201.3
[M+K]+ 412.17858 199.6
[M-H]- 372.20814 199.7
[M+Na-2H]- 394.19009 201.7
[M]+ 373.21487 197.3
[M]- 373.21597 197.3
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.