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 162.8
[M+Na]+ 288.13186 166.2
[M-H]- 264.13536 168.6
[M+NH4]+ 283.17646 179.3
[M+K]+ 304.10580 167.6
[M+H-H2O]+ 248.13990 154.4
[M+HCOO]- 310.14084 189.2
[M+CH3COO]- 324.15649 209.4
[M+Na-2H]- 286.11731 165.8
[M]+ 265.14209 165.7
[M]- 265.14319 165.7
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