CID 28505928

1-(2,3-dihydro-1h-indol-1-yl)-2-(piperazin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C14H19N3O
SMILES
C1CN(C2=CC=CC=C21)C(=O)CN3CCNCC3
InChI
InChI=1S/C14H19N3O/c18-14(11-16-9-6-15-7-10-16)17-8-5-12-3-1-2-4-13(12)17/h1-4,15H,5-11H2
InChIKey
OJPWNCPVNIQBOC-UHFFFAOYSA-N
Compound name
1-(2,3-dihydroindol-1-yl)-2-piperazin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

245.15282 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.160096 158.8
[M+Na]+ 268.142038 163.1
[M-H]- 244.145544 159.6
[M+NH4]+ 263.186643 173.4
[M+K]+ 284.115978 158.6
[M+H-H2O]+ 228.150080 149.3
[M+HCOO]- 290.151021 171.9
[M+CH3COO]- 304.166671 167.9
[M+Na-2H]- 266.127486 160.5
[M]+ 245.15227142 151.8
[M]- 245.15336858 151.8
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

patents stripe