CID 13670230

Propanoic acid, 3-(2,2-dimethyl-1-((phenylamino)carbonyl)hydrazino)-, monopotassium salt

Structural Information

Molecular Formula
C12H17N3O3
SMILES
CN(C)N(CCC(=O)O)C(=O)NC1=CC=CC=C1
InChI
InChI=1S/C12H17N3O3/c1-14(2)15(9-8-11(16)17)12(18)13-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,18)(H,16,17)
InChIKey
XOQZSUVENUQSMJ-UHFFFAOYSA-N
Compound name
3-[dimethylamino(phenylcarbamoyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.127 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13428 158.1
[M+Na]+ 274.11622 161.4
[M-H]- 250.11972 162.6
[M+NH4]+ 269.16082 174.3
[M+K]+ 290.09016 162.2
[M+H-H2O]+ 234.12426 150.1
[M+HCOO]- 296.12520 183.2
[M+CH3COO]- 310.14085 204.6
[M+Na-2H]- 272.10167 161.1
[M]+ 251.12645 158.8
[M]- 251.12755 158.8
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

No patent data available for this compound.