CID 9906770

Neo 376

Structural Information

Molecular Formula
C20H24ClN3O
SMILES
C1CC2=C(C=CN2CCN3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)C1
InChI
InChI=1S/C20H24ClN3O/c21-16-3-1-4-17(15-16)23-12-9-22(10-13-23)11-14-24-8-7-18-19(24)5-2-6-20(18)25/h1,3-4,7-8,15H,2,5-6,9-14H2
InChIKey
CQSQHUPRBBCQRE-UHFFFAOYSA-N
Compound name
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

357.1608 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16808 188.7
[M+Na]+ 380.15002 194.6
[M-H]- 356.15352 193.5
[M+NH4]+ 375.19462 200.3
[M+K]+ 396.12396 186.9
[M+H-H2O]+ 340.15806 177.1
[M+HCOO]- 402.15900 197.1
[M+CH3COO]- 416.17465 196.6
[M+Na-2H]- 378.13547 186.8
[M]+ 357.16025 185.2
[M]- 357.16135 185.2
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