CID 3039049

Brn 0841868

Structural Information

Molecular Formula
C19H15N3O3S
SMILES
C1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)C(NC(=O)C3=NC=CN=C3)O
InChI
InChI=1S/C19H15N3O3S/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/h1-12,19,25H,(H,22,24)
InChIKey
FSVKACLDEISMTI-UHFFFAOYSA-N
Compound name
N-[1-hydroxy-2-oxo-2-(4-phenylsulfanylphenyl)ethyl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.0834 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.09068 182.3
[M+Na]+ 388.07262 187.2
[M-H]- 364.07612 187.6
[M+NH4]+ 383.11722 190.2
[M+K]+ 404.04656 181.4
[M+H-H2O]+ 348.08066 172.2
[M+HCOO]- 410.08160 196.2
[M+CH3COO]- 424.09725 212.2
[M+Na-2H]- 386.05807 184.6
[M]+ 365.08285 182.4
[M]- 365.08395 182.4
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.