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]+ 252.134276 158.1
[M+Na]+ 274.116218 161.4
[M-H]- 250.119724 162.6
[M+NH4]+ 269.160823 174.3
[M+K]+ 290.090158 162.2
[M+H-H2O]+ 234.124260 150.1
[M+HCOO]- 296.125201 183.2
[M+CH3COO]- 310.140851 204.6
[M+Na-2H]- 272.101666 161.1
[M]+ 251.12645142 158.8
[M]- 251.12754858 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.