CID 470772

[4-(4-chlorophenyl)piperazin-1-yl]-(1h-indol-2-yl)methanone

Structural Information

Molecular Formula
C19H18ClN3O
SMILES
C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C19H18ClN3O/c20-15-5-7-16(8-6-15)22-9-11-23(12-10-22)19(24)18-13-14-3-1-2-4-17(14)21-18/h1-8,13,21H,9-12H2
InChIKey
IUTQCXRENZKAMP-UHFFFAOYSA-N
Compound name
[4-(4-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.11383 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12111 179.5
[M+Na]+ 362.10305 187.4
[M-H]- 338.10655 184.3
[M+NH4]+ 357.14765 191.2
[M+K]+ 378.07699 179.1
[M+H-H2O]+ 322.11109 168.9
[M+HCOO]- 384.11203 190.2
[M+CH3COO]- 398.12768 188.5
[M+Na-2H]- 360.08850 180.8
[M]+ 339.11328 177.3
[M]- 339.11438 177.3
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.