CID 6008

Phencarbamide

Structural Information

Molecular Formula
C19H24N2OS
SMILES
CCN(CC)CCSC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H24N2OS/c1-3-20(4-2)15-16-23-19(22)21(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKey
BZGIPVGCJGXQTA-UHFFFAOYSA-N
Compound name
S-[2-(diethylamino)ethyl] N,N-diphenylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1140
Patents

328.16095 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16823 178.4
[M+Na]+ 351.15017 189.8
[M+NH4]+ 346.19477 187.0
[M+K]+ 367.12411 180.0
[M-H]- 327.15367 184.6
[M+Na-2H]- 349.13562 187.3
[M]+ 328.16040 182.3
[M]- 328.16150 182.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe