CID 3024696

Propanamide, 3-(2,2-dimethyl-1-((phenylamino)thioxomethyl)hydrazino)-

Structural Information

Molecular Formula
C12H18N4OS
SMILES
CN(C)N(CCC(=O)N)C(=S)NC1=CC=CC=C1
InChI
InChI=1S/C12H18N4OS/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
GXWLTCUGHQPHAM-UHFFFAOYSA-N
Compound name
3-[dimethylamino(phenylcarbamothioyl)amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.12012 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12740 162.7
[M+Na]+ 289.10934 165.6
[M-H]- 265.11284 167.8
[M+NH4]+ 284.15394 178.9
[M+K]+ 305.08328 164.4
[M+H-H2O]+ 249.11738 154.0
[M+HCOO]- 311.11832 183.4
[M+CH3COO]- 325.13397 211.0
[M+Na-2H]- 287.09479 163.1
[M]+ 266.11957 162.7
[M]- 266.12067 162.7
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