CID 13670205

3-(2,2-dimethylamino-1-phenylcarbamoylhydrazino)propionamide

Structural Information

Molecular Formula
C12H18N4O2
SMILES
CN(C)N(CCC(=O)N)C(=O)NC1=CC=CC=C1
InChI
InChI=1S/C12H18N4O2/c1-15(2)16(9-8-11(13)17)12(18)14-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,13,17)(H,14,18)
InChIKey
OBVODKHGSUXVME-UHFFFAOYSA-N
Compound name
3-[dimethylamino(phenylcarbamoyl)amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.14297 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15025 159.2
[M+Na]+ 273.13219 162.1
[M-H]- 249.13569 164.5
[M+NH4]+ 268.17679 175.5
[M+K]+ 289.10613 163.0
[M+H-H2O]+ 233.14023 150.6
[M+HCOO]- 295.14117 185.9
[M+CH3COO]- 309.15682 209.5
[M+Na-2H]- 271.11764 161.9
[M]+ 250.14242 158.6
[M]- 250.14352 158.6
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