CID 209316

19729-87-4

Structural Information

Molecular Formula
C14H20N2O
SMILES
CCCN1CCN(CC1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H20N2O/c1-2-8-15-9-11-16(12-10-15)14(17)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKey
PLJTWSGWVULAIS-UHFFFAOYSA-N
Compound name
phenyl-(4-propylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

232.15756 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 156.0
[M+Na]+ 255.14678 160.5
[M-H]- 231.15028 158.7
[M+NH4]+ 250.19138 170.7
[M+K]+ 271.12072 157.3
[M+H-H2O]+ 215.15482 146.8
[M+HCOO]- 277.15576 172.8
[M+CH3COO]- 291.17141 190.9
[M+Na-2H]- 253.13223 159.1
[M]+ 232.15701 152.1
[M]- 232.15811 152.1
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