CID 258240

Phenyl(4-phenylpiperazin-1-yl)methanone

Structural Information

Molecular Formula
C17H18N2O
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H18N2O/c20-17(15-7-3-1-4-8-15)19-13-11-18(12-14-19)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
PIGJYCFPOKYNLL-UHFFFAOYSA-N
Compound name
phenyl-(4-phenylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

52
Patents

266.1419 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.14918 163.1
[M+Na]+ 289.13112 167.4
[M-H]- 265.13462 168.7
[M+NH4]+ 284.17572 175.6
[M+K]+ 305.10506 162.7
[M+H-H2O]+ 249.13916 152.4
[M+HCOO]- 311.14010 180.0
[M+CH3COO]- 325.15575 172.8
[M+Na-2H]- 287.11657 167.0
[M]+ 266.14135 157.4
[M]- 266.14245 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe