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]+ 345.199506 181.5
[M+Na]+ 367.181448 180.2
[M-H]- 343.184954 188.0
[M+NH4]+ 362.226053 193.3
[M+K]+ 383.155388 175.0
[M+H-H2O]+ 327.189490 172.5
[M+HCOO]- 389.190431 192.1
[M+CH3COO]- 403.206081 213.0
[M+Na-2H]- 365.166896 179.0
[M]+ 344.19168142 171.5
[M]- 344.19277858 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.