CID 826486

Acetamide, n-(4-(dimethylamino)phenyl)-2-(4-methyl-1-piperazinyl)-, (z)-2-butenedioate, hydrate (2:4:1)

Structural Information

Molecular Formula
C15H24N4O
SMILES
CN1CCN(CC1)CC(=O)NC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C15H24N4O/c1-17(2)14-6-4-13(5-7-14)16-15(20)12-19-10-8-18(3)9-11-19/h4-7H,8-12H2,1-3H3,(H,16,20)
InChIKey
DBKDNRMVMQHQSM-UHFFFAOYSA-N
Compound name
N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.195 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.202276 167.6
[M+Na]+ 299.184218 171.0
[M-H]- 275.187724 171.9
[M+NH4]+ 294.228823 180.8
[M+K]+ 315.158158 168.9
[M+H-H2O]+ 259.192260 157.7
[M+HCOO]- 321.193201 186.7
[M+CH3COO]- 335.208851 208.4
[M+Na-2H]- 297.169666 169.9
[M]+ 276.19445142 164.5
[M]- 276.19554858 164.5
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.