CID 57374611

1346600-54-1

Structural Information

Molecular Formula
C14H16N4O3S
SMILES
CC1=CN=CC(=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C14H16N4O3S/c1-10-8-16-9-13(18-10)14(19)17-7-6-11-2-4-12(5-3-11)22(15,20)21/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H2,15,20,21)
InChIKey
ZBULFWLJSYSQEV-UHFFFAOYSA-N
Compound name
6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

320.0943 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.101576 172.3
[M+Na]+ 343.083518 179.7
[M-H]- 319.087024 176.2
[M+NH4]+ 338.128123 183.3
[M+K]+ 359.057458 174.6
[M+H-H2O]+ 303.091560 163.4
[M+HCOO]- 365.092501 188.8
[M+CH3COO]- 379.108151 207.4
[M+Na-2H]- 341.068966 176.3
[M]+ 320.09375142 173.7
[M]- 320.09484858 173.7
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

patents stripe