CID 100409

Brn 0566767

Structural Information

Molecular Formula
C21H23N3O
SMILES
CN1CCN(CC1)CC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C21H23N3O/c1-23-11-13-24(14-12-23)15-19(25)20-17-9-5-6-10-18(17)22-21(20)16-7-3-2-4-8-16/h2-10,22H,11-15H2,1H3
InChIKey
PHEVCOYQAYJTOE-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-1-(2-phenyl-1H-indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 181.5
[M+Na]+ 356.173318 187.7
[M-H]- 332.176824 186.3
[M+NH4]+ 351.217923 192.5
[M+K]+ 372.147258 180.3
[M+H-H2O]+ 316.181360 170.4
[M+HCOO]- 378.182301 196.2
[M+CH3COO]- 392.197951 190.1
[M+Na-2H]- 354.158766 182.3
[M]+ 333.18355142 177.8
[M]- 333.18464858 177.8
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.