CID 13670197

Propanoic acid, 3-(2,2-dimethyl-1-((phenylamino)carbonyl)hydrazino)-, methyl ester

Structural Information

Molecular Formula
C13H19N3O3
SMILES
CN(C)N(CCC(=O)OC)C(=O)NC1=CC=CC=C1
InChI
InChI=1S/C13H19N3O3/c1-15(2)16(10-9-12(17)19-3)13(18)14-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,18)
InChIKey
ORAUAVYDRUZKEE-UHFFFAOYSA-N
Compound name
methyl 3-[dimethylamino(phenylcarbamoyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

265.14264 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14992 162.4
[M+Na]+ 288.13186 170.0
[M+NH4]+ 283.17646 168.2
[M+K]+ 304.10580 166.2
[M-H]- 264.13536 164.4
[M+Na-2H]- 286.11731 167.2
[M]+ 265.14209 163.5
[M]- 265.14319 163.5
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