CID 3023354

Piperazine, 1-(m-(dimethylamino)benzoyl)-4-methyl-

Structural Information

Molecular Formula
C14H21N3O
SMILES
CN1CCN(CC1)C(=O)C2=CC(=CC=C2)N(C)C
InChI
InChI=1S/C14H21N3O/c1-15(2)13-6-4-5-12(11-13)14(18)17-9-7-16(3)8-10-17/h4-6,11H,7-10H2,1-3H3
InChIKey
UNOXFJINJYTWCA-UHFFFAOYSA-N
Compound name
[3-(dimethylamino)phenyl]-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.16846 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.17574 159.3
[M+Na]+ 270.15768 164.0
[M-H]- 246.16118 163.8
[M+NH4]+ 265.20228 174.0
[M+K]+ 286.13162 162.2
[M+H-H2O]+ 230.16572 149.9
[M+HCOO]- 292.16666 177.6
[M+CH3COO]- 306.18231 200.4
[M+Na-2H]- 268.14313 161.5
[M]+ 247.16791 156.4
[M]- 247.16901 156.4
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.