CID 3003275

N-[(4-pentoxyphenyl)carbamothioyl]benzamide

Structural Information

Molecular Formula
C19H22N2O2S
SMILES
CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H22N2O2S/c1-2-3-7-14-23-17-12-10-16(11-13-17)20-19(24)21-18(22)15-8-5-4-6-9-15/h4-6,8-13H,2-3,7,14H2,1H3,(H2,20,21,22,24)
InChIKey
ZAUSXSVBEHBUQM-UHFFFAOYSA-N
Compound name
N-[(4-pentoxyphenyl)carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1402 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14748 182.0
[M+Na]+ 365.12942 185.7
[M-H]- 341.13292 187.6
[M+NH4]+ 360.17402 194.8
[M+K]+ 381.10336 180.4
[M+H-H2O]+ 325.13746 173.0
[M+HCOO]- 387.13840 200.2
[M+CH3COO]- 401.15405 213.8
[M+Na-2H]- 363.11487 182.8
[M]+ 342.13965 183.8
[M]- 342.14075 183.8
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.