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

0
Patents

243.13716 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14444 156.2
[M+Na]+ 266.12638 162.2
[M-H]- 242.12988 156.5
[M+NH4]+ 261.17098 170.5
[M+K]+ 282.10032 156.3
[M+H-H2O]+ 226.13442 147.2
[M+HCOO]- 288.13536 170.7
[M+CH3COO]- 302.15101 165.8
[M+Na-2H]- 264.11183 159.7
[M]+ 243.13661 150.3
[M]- 243.13771 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