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

3
Patents

333.1841 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.19138 182.0
[M+Na]+ 356.17332 188.6
[M-H]- 332.17682 188.1
[M+NH4]+ 351.21792 193.7
[M+K]+ 372.14726 182.0
[M+H-H2O]+ 316.18136 170.5
[M+HCOO]- 378.18230 198.1
[M+CH3COO]- 392.19795 191.2
[M+Na-2H]- 354.15877 183.0
[M]+ 333.18355 179.9
[M]- 333.18465 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