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]+ 329.131816 177.7
[M+Na]+ 351.113758 181.8
[M-H]- 327.117264 183.5
[M+NH4]+ 346.158363 191.1
[M+K]+ 367.087698 176.8
[M+H-H2O]+ 311.121800 168.9
[M+HCOO]- 373.122741 196.2
[M+CH3COO]- 387.138391 210.8
[M+Na-2H]- 349.099206 178.9
[M]+ 328.12399142 179.2
[M]- 328.12508858 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.