CID 512202

Cyclohexanecarboxamide, n-[5-(2-furanyl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3(4h)-yl]-

Structural Information

Molecular Formula
C18H19N3O3S
SMILES
CC1=NC2=C(C(=CS2)C3=CC=CO3)C(=O)N1NC(=O)C4CCCCC4
InChI
InChI=1S/C18H19N3O3S/c1-11-19-17-15(13(10-25-17)14-8-5-9-24-14)18(23)21(11)20-16(22)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3,(H,20,22)
InChIKey
NIPBPLFOQONBKE-UHFFFAOYSA-N
Compound name
N-[5-(furan-2-yl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.11472 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12200 181.7
[M+Na]+ 380.10394 190.6
[M-H]- 356.10744 191.6
[M+NH4]+ 375.14854 195.6
[M+K]+ 396.07788 186.9
[M+H-H2O]+ 340.11198 174.5
[M+HCOO]- 402.11292 197.6
[M+CH3COO]- 416.12857 192.8
[M+Na-2H]- 378.08939 180.4
[M]+ 357.11417 184.8
[M]- 357.11527 184.8
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.