CID 24706875

2-(1h-indol-3-yl)-1-(piperazin-1-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C14H17N3O
SMILES
C1CN(CCN1)C(=O)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C14H17N3O/c18-14(17-7-5-15-6-8-17)9-11-10-16-13-4-2-1-3-12(11)13/h1-4,10,15-16H,5-9H2
InChIKey
OTRXVAJGFQFQJN-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-1-piperazin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

243.13716 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.144436 156.2
[M+Na]+ 266.126378 162.2
[M-H]- 242.129884 156.5
[M+NH4]+ 261.170983 170.5
[M+K]+ 282.100318 156.3
[M+H-H2O]+ 226.134420 147.2
[M+HCOO]- 288.135361 170.7
[M+CH3COO]- 302.151011 165.8
[M+Na-2H]- 264.111826 159.7
[M]+ 243.13661142 150.3
[M]- 243.13770858 150.3
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

patents stripe