CID 3003274

N-[[4-(1-methylbutoxy)phenyl]carbamothioyl]benzamide

Structural Information

Molecular Formula
C19H22N2O2S
SMILES
CCCC(C)OC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H22N2O2S/c1-3-7-14(2)23-17-12-10-16(11-13-17)20-19(24)21-18(22)15-8-5-4-6-9-15/h4-6,8-14H,3,7H2,1-2H3,(H2,20,21,22,24)
InChIKey
SZMXHUMYMJQAEN-UHFFFAOYSA-N
Compound name
N-[(4-pentan-2-yloxyphenyl)carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1402 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14748 182.5
[M+Na]+ 365.12942 185.8
[M-H]- 341.13292 188.2
[M+NH4]+ 360.17402 195.2
[M+K]+ 381.10336 181.2
[M+H-H2O]+ 325.13746 173.7
[M+HCOO]- 387.13840 199.6
[M+CH3COO]- 401.15405 214.7
[M+Na-2H]- 363.11487 182.2
[M]+ 342.13965 183.7
[M]- 342.14075 183.7
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.