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

6
Patents

232.15756 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.164836 156.0
[M+Na]+ 255.146778 160.5
[M-H]- 231.150284 158.7
[M+NH4]+ 250.191383 170.7
[M+K]+ 271.120718 157.3
[M+H-H2O]+ 215.154820 146.8
[M+HCOO]- 277.155761 172.8
[M+CH3COO]- 291.171411 190.9
[M+Na-2H]- 253.132226 159.1
[M]+ 232.15701142 152.1
[M]- 232.15810858 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