CID 3003273

N-[(4-butoxyphenyl)carbamothioyl]benzamide

Structural Information

Molecular Formula
C18H20N2O2S
SMILES
CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H20N2O2S/c1-2-3-13-22-16-11-9-15(10-12-16)19-18(23)20-17(21)14-7-5-4-6-8-14/h4-12H,2-3,13H2,1H3,(H2,19,20,21,23)
InChIKey
ABZIQZLAHKKTFQ-UHFFFAOYSA-N
Compound name
N-[(4-butoxyphenyl)carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.12454 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13182 177.7
[M+Na]+ 351.11376 181.8
[M-H]- 327.11726 183.5
[M+NH4]+ 346.15836 191.1
[M+K]+ 367.08770 176.8
[M+H-H2O]+ 311.12180 168.9
[M+HCOO]- 373.12274 196.2
[M+CH3COO]- 387.13839 210.8
[M+Na-2H]- 349.09921 178.9
[M]+ 328.12399 179.2
[M]- 328.12509 179.2
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.