CID 455379

Chembl7179

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CC1=CC(=CC(=C1OC)C)C(=O)N2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C19H23N3O2/c1-14-12-16(13-15(2)18(14)24-3)19(23)22-10-8-21(9-11-22)17-6-4-5-7-20-17/h4-7,12-13H,8-11H2,1-3H3
InChIKey
VGFSMSVRPCFSMU-UHFFFAOYSA-N
Compound name
(4-methoxy-3,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.17902 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18630 180.7
[M+Na]+ 348.16824 186.9
[M-H]- 324.17174 185.8
[M+NH4]+ 343.21284 190.2
[M+K]+ 364.14218 182.0
[M+H-H2O]+ 308.17628 169.1
[M+HCOO]- 370.17722 195.7
[M+CH3COO]- 384.19287 210.2
[M+Na-2H]- 346.15369 181.4
[M]+ 325.17847 178.9
[M]- 325.17957 178.9
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

No patent data available for this compound.