CID 854363

2-methyl-n-[(4-methylphenyl)carbamothioyl]benzamide

Structural Information

Molecular Formula
C16H16N2OS
SMILES
CC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2C
InChI
InChI=1S/C16H16N2OS/c1-11-7-9-13(10-8-11)17-16(20)18-15(19)14-6-4-3-5-12(14)2/h3-10H,1-2H3,(H2,17,18,19,20)
InChIKey
QXFXEDBUBQXEDH-UHFFFAOYSA-N
Compound name
2-methyl-N-[(4-methylphenyl)carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

284.09833 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.105606 165.6
[M+Na]+ 307.087548 171.8
[M-H]- 283.091054 172.3
[M+NH4]+ 302.132153 181.3
[M+K]+ 323.061488 166.6
[M+H-H2O]+ 267.095590 157.8
[M+HCOO]- 329.096531 184.6
[M+CH3COO]- 343.112181 204.0
[M+Na-2H]- 305.072996 167.0
[M]+ 284.09778142 165.5
[M]- 284.09887858 165.5
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

patents stripe