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]+ 334.19138 181.9
[M+Na]+ 356.17332 196.6
[M+NH4]+ 351.21792 189.6
[M+K]+ 372.14726 189.9
[M-H]- 332.17682 186.7
[M+Na-2H]- 354.15877 190.0
[M]+ 333.18355 185.3
[M]- 333.18465 185.3
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

No patent data available for this compound.