CID 3151054

5-amino-2-(4-methylpiperazin-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]+ 235.155336 155.7
[M+Na]+ 257.137278 161.3
[M-H]- 233.140784 158.5
[M+NH4]+ 252.181883 169.7
[M+K]+ 273.111218 157.7
[M+H-H2O]+ 217.145320 146.9
[M+HCOO]- 279.146261 174.0
[M+CH3COO]- 293.161911 196.8
[M+Na-2H]- 255.122726 157.3
[M]+ 234.14751142 148.8
[M]- 234.14860858 148.8
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