CID 3151054

5-amino-2-(4-methyl-piperazin-1-yl)-benzamide

Structural Information

Molecular Formula
C12H18N4O
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)N)C(=O)N
InChI
InChI=1S/C12H18N4O/c1-15-4-6-16(7-5-15)11-3-2-9(13)8-10(11)12(14)17/h2-3,8H,4-7,13H2,1H3,(H2,14,17)
InChIKey
XDZHYARMBAYMOV-UHFFFAOYSA-N
Compound name
5-amino-2-(4-methylpiperazin-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.14806 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15534 154.5
[M+Na]+ 257.13728 164.8
[M+NH4]+ 252.18188 161.3
[M+K]+ 273.11122 159.8
[M-H]- 233.14078 157.7
[M+Na-2H]- 255.12273 159.9
[M]+ 234.14751 156.5
[M]- 234.14861 156.5
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

patents stripe