CID 3033636

Benzamide, n,n-dicyclohexyl-4-(((1-naphthalenylamino)thioxomethyl)amino)-

Structural Information

Molecular Formula
C30H35N3OS
SMILES
C1CCC(CC1)N(C2CCCCC2)C(=O)C3=CC=C(C=C3)NC(=S)NC4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C30H35N3OS/c34-29(33(25-12-3-1-4-13-25)26-14-5-2-6-15-26)23-18-20-24(21-19-23)31-30(35)32-28-17-9-11-22-10-7-8-16-27(22)28/h7-11,16-21,25-26H,1-6,12-15H2,(H2,31,32,35)
InChIKey
ISNPXWOYFVJNRP-UHFFFAOYSA-N
Compound name
N,N-dicyclohexyl-4-(naphthalen-1-ylcarbamothioylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.2501 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.25738 213.4
[M+Na]+ 508.23932 223.6
[M+NH4]+ 503.28392 222.0
[M+K]+ 524.21326 212.6
[M-H]- 484.24282 224.0
[M+Na-2H]- 506.22477 223.1
[M]+ 485.24955 218.1
[M]- 485.25065 218.1
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.