CID 3003310

Akos003491810

Structural Information

Molecular Formula
C18H20N2O2S
SMILES
CCC(C)OC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H20N2O2S/c1-3-13(2)22-16-11-9-15(10-12-16)19-18(23)20-17(21)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H2,19,20,21,23)
InChIKey
NULJWKHEFSMWSK-UHFFFAOYSA-N
Compound name
N-[(4-butan-2-yloxyphenyl)carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.12454 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13182 178.1
[M+Na]+ 351.11376 181.9
[M-H]- 327.11726 184.1
[M+NH4]+ 346.15836 191.5
[M+K]+ 367.08770 177.5
[M+H-H2O]+ 311.12180 169.6
[M+HCOO]- 373.12274 195.6
[M+CH3COO]- 387.13839 211.7
[M+Na-2H]- 349.09921 178.3
[M]+ 328.12399 179.1
[M]- 328.12509 179.1
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.