CID 3040885

Brn 0853052

Structural Information

Molecular Formula
C19H21N3O3S
SMILES
C1CCC(CC1)SC2=CC=C(C=C2)C(=O)C(NC(=O)C3=NC=CN=C3)O
InChI
InChI=1S/C19H21N3O3S/c23-17(19(25)22-18(24)16-12-20-10-11-21-16)13-6-8-15(9-7-13)26-14-4-2-1-3-5-14/h6-12,14,19,25H,1-5H2,(H,22,24)
InChIKey
OVTPCQSTULKQCD-UHFFFAOYSA-N
Compound name
N-[2-(4-cyclohexylsulfanylphenyl)-1-hydroxy-2-oxoethyl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.13037 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13765 182.7
[M+Na]+ 394.11959 192.9
[M+NH4]+ 389.16419 188.6
[M+K]+ 410.09353 185.8
[M-H]- 370.12309 186.5
[M+Na-2H]- 392.10504 189.9
[M]+ 371.12982 185.3
[M]- 371.13092 185.3
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.