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 192.4
[M+Na]+ 396.20464 197.1
[M-H]- 372.20814 199.3
[M+NH4]+ 391.24924 203.5
[M+K]+ 412.17858 189.6
[M+H-H2O]+ 356.21268 181.1
[M+HCOO]- 418.21362 210.1
[M+CH3COO]- 432.22927 200.7
[M+Na-2H]- 394.19009 192.8
[M]+ 373.21487 189.6
[M]- 373.21597 189.6
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.