CID 4141039

N'-benzoyl-n,n-diisobutylthiourea

Structural Information

Molecular Formula
C16H24N2OS
SMILES
CC(C)CN(CC(C)C)C(=S)NC(=O)C1=CC=CC=C1
InChI
InChI=1S/C16H24N2OS/c1-12(2)10-18(11-13(3)4)16(20)17-15(19)14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3,(H,17,19,20)
InChIKey
POOZTTICQBYMAC-UHFFFAOYSA-N
Compound name
N-[bis(2-methylpropyl)carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

292.16095 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16823 173.2
[M+Na]+ 315.15017 175.6
[M-H]- 291.15367 177.1
[M+NH4]+ 310.19477 188.8
[M+K]+ 331.12411 173.6
[M+H-H2O]+ 275.15821 165.4
[M+HCOO]- 337.15915 188.9
[M+CH3COO]- 351.17480 211.1
[M+Na-2H]- 313.13562 170.2
[M]+ 292.16040 174.8
[M]- 292.16150 174.8
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

No patent data available for this compound.