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 210.4
[M+Na]+ 508.23932 207.3
[M-H]- 484.24282 220.5
[M+NH4]+ 503.28392 216.8
[M+K]+ 524.21326 201.2
[M+H-H2O]+ 468.24736 198.9
[M+HCOO]- 530.24830 220.1
[M+CH3COO]- 544.26395 214.6
[M+Na-2H]- 506.22477 209.3
[M]+ 485.24955 201.0
[M]- 485.25065 201.0
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.