CID 3024697

96804-75-0

Structural Information

Molecular Formula
C13H20N4OS
SMILES
CC(CN(C(=S)NC1=CC=CC=C1)N(C)C)C(=O)N
InChI
InChI=1S/C13H20N4OS/c1-10(12(14)18)9-17(16(2)3)13(19)15-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H2,14,18)(H,15,19)
InChIKey
IBNCJQWJXZCMPV-UHFFFAOYSA-N
Compound name
3-[dimethylamino(phenylcarbamothioyl)amino]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.13577 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14305 166.2
[M+Na]+ 303.12499 172.0
[M+NH4]+ 298.16959 172.6
[M+K]+ 319.09893 166.8
[M-H]- 279.12849 169.1
[M+Na-2H]- 301.11044 170.3
[M]+ 280.13522 167.7
[M]- 280.13632 167.7
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