CID 3052337

1-acetyl-3-benzylpiperazine-indole

Structural Information

Molecular Formula
C21H23N3O
SMILES
CC(=O)N1C=C(C2=CC=CC=C21)N3CCN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C21H23N3O/c1-17(25)24-16-21(19-9-5-6-10-20(19)24)23-13-11-22(12-14-23)15-18-7-3-2-4-8-18/h2-10,16H,11-15H2,1H3
InChIKey
TUHUHBXSCJHHKU-UHFFFAOYSA-N
Compound name
1-[3-(4-benzylpiperazin-1-yl)indol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

333.1841 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.191376 182.0
[M+Na]+ 356.173318 188.6
[M-H]- 332.176824 188.1
[M+NH4]+ 351.217923 193.7
[M+K]+ 372.147258 182.0
[M+H-H2O]+ 316.181360 170.5
[M+HCOO]- 378.182301 198.1
[M+CH3COO]- 392.197951 191.2
[M+Na-2H]- 354.158766 183.0
[M]+ 333.18355142 179.9
[M]- 333.18464858 179.9
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