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 181.5
[M+Na]+ 356.17332 187.7
[M-H]- 332.17682 186.3
[M+NH4]+ 351.21792 192.5
[M+K]+ 372.14726 180.3
[M+H-H2O]+ 316.18136 170.4
[M+HCOO]- 378.18230 196.2
[M+CH3COO]- 392.19795 190.1
[M+Na-2H]- 354.15877 182.3
[M]+ 333.18355 177.8
[M]- 333.18465 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.