CID 57422516

5-(4-methylpiperazin-1-yl)-2,3-dihydro-1h-1,3-benzodiazol-2-one

Structural Information

Molecular Formula
C12H16N4O
SMILES
CN1CCN(CC1)C2=CC3=C(C=C2)NC(=O)N3
InChI
InChI=1S/C12H16N4O/c1-15-4-6-16(7-5-15)9-2-3-10-11(8-9)14-12(17)13-10/h2-3,8H,4-7H2,1H3,(H2,13,14,17)
InChIKey
ILDCPXADUXOZHP-UHFFFAOYSA-N
Compound name
5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.13242 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.13970 153.0
[M+Na]+ 255.12164 166.2
[M+NH4]+ 250.16624 159.9
[M+K]+ 271.09558 161.7
[M-H]- 231.12514 154.0
[M+Na-2H]- 253.10709 158.5
[M]+ 232.13187 154.9
[M]- 232.13297 154.9
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.