CID 51000408

Ve-821

Structural Information

Molecular Formula
C18H16N4O3S
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N
InChI
InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23)
InChIKey
DUIHHZKTCSNTGM-UHFFFAOYSA-N
Compound name
3-amino-6-(4-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

55
References

140
Patents

368.0943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.10158 182.7
[M+Na]+ 391.08352 195.8
[M+NH4]+ 386.12812 188.3
[M+K]+ 407.05746 188.3
[M-H]- 367.08702 187.4
[M+Na-2H]- 389.06897 192.3
[M]+ 368.09375 186.2
[M]- 368.09485 186.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe