CID 117857370

Glpg1837

Structural Information

Molecular Formula
C16H20N4O3S
SMILES
CC1(CC2=C(C(O1)(C)C)SC(=C2C(=O)N)NC(=O)C3=CC=NN3)C
InChI
InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22)
InChIKey
GHTGYZMBQPXTCQ-UHFFFAOYSA-N
Compound name
N-(3-carbamoyl-5,5,7,7-tetramethyl-4H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

449
Patents

348.1256 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13288 176.6
[M+Na]+ 371.11482 185.9
[M-H]- 347.11832 181.8
[M+NH4]+ 366.15942 193.9
[M+K]+ 387.08876 182.9
[M+H-H2O]+ 331.12286 171.8
[M+HCOO]- 393.12380 190.8
[M+CH3COO]- 407.13945 212.1
[M+Na-2H]- 369.10027 177.5
[M]+ 348.12505 179.8
[M]- 348.12615 179.8
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.