CID 16077478

N-carbamoyl-2-(5-cyclohexyl-6-thioxo-1,3,5-thiadiazinan-3-yl)acetamide

Structural Information

Molecular Formula
C12H20N4O2S2
SMILES
C1CCC(CC1)N2CN(CSC2=S)CC(=O)NC(=O)N
InChI
InChI=1S/C12H20N4O2S2/c13-11(18)14-10(17)6-15-7-16(12(19)20-8-15)9-4-2-1-3-5-9/h9H,1-8H2,(H3,13,14,17,18)
InChIKey
DAPJYJWSWGYFRA-UHFFFAOYSA-N
Compound name
N-carbamoyl-2-(5-cyclohexyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.10278 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11006 168.7
[M+Na]+ 339.09200 170.4
[M-H]- 315.09550 169.5
[M+NH4]+ 334.13660 179.5
[M+K]+ 355.06594 165.3
[M+H-H2O]+ 299.10004 160.8
[M+HCOO]- 361.10098 172.1
[M+CH3COO]- 375.11663 205.7
[M+Na-2H]- 337.07745 165.3
[M]+ 316.10223 160.8
[M]- 316.10333 160.8
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.