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]+ 248.175736 159.3
[M+Na]+ 270.157678 164.0
[M-H]- 246.161184 163.8
[M+NH4]+ 265.202283 174.0
[M+K]+ 286.131618 162.2
[M+H-H2O]+ 230.165720 149.9
[M+HCOO]- 292.166661 177.6
[M+CH3COO]- 306.182311 200.4
[M+Na-2H]- 268.143126 161.5
[M]+ 247.16791142 156.4
[M]- 247.16900858 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.