CID 3052678

Usaf k-1468

Structural Information

Molecular Formula
C20H28N2OS
SMILES
C1CCC(CC1)C2CCCCC2NC(=S)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H28N2OS/c23-19(16-11-5-2-6-12-16)22-20(24)21-18-14-8-7-13-17(18)15-9-3-1-4-10-15/h2,5-6,11-12,15,17-18H,1,3-4,7-10,13-14H2,(H2,21,22,23,24)
InChIKey
RXBQSDCJUQIATC-UHFFFAOYSA-N
Compound name
N-[(2-cyclohexylcyclohexyl)carbamothioyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.19223 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.19951 181.5
[M+Na]+ 367.18145 180.2
[M-H]- 343.18495 188.0
[M+NH4]+ 362.22605 193.3
[M+K]+ 383.15539 175.0
[M+H-H2O]+ 327.18949 172.5
[M+HCOO]- 389.19043 192.1
[M+CH3COO]- 403.20608 213.0
[M+Na-2H]- 365.16690 179.0
[M]+ 344.19168 171.5
[M]- 344.19278 171.5
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

No patent data available for this compound.