CID 3024657

3-(2,2-dimethyl-1-benzoylhydrazino)propionamide

Structural Information

Molecular Formula
C12H17N3O2
SMILES
CN(C)N(CCC(=O)N)C(=O)C1=CC=CC=C1
InChI
InChI=1S/C12H17N3O2/c1-14(2)15(9-8-11(13)16)12(17)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,13,16)
InChIKey
MXTAZQUBOIMGRZ-UHFFFAOYSA-N
Compound name
3-[benzoyl(dimethylamino)amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

235.13208 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 155.4
[M+Na]+ 258.12130 159.2
[M-H]- 234.12480 160.9
[M+NH4]+ 253.16590 172.8
[M+K]+ 274.09524 159.9
[M+H-H2O]+ 218.12934 147.4
[M+HCOO]- 280.13028 181.2
[M+CH3COO]- 294.14593 205.0
[M+Na-2H]- 256.10675 157.8
[M]+ 235.13153 155.7
[M]- 235.13263 155.7
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