CID 13340907

33288-74-3

Structural Information

Molecular Formula
C16H18N4O5S
SMILES
CC1=CN=C(C=N1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)OC
InChI
InChI=1S/C16H18N4O5S/c1-11-9-19-14(10-18-11)15(21)17-8-7-12-3-5-13(6-4-12)26(23,24)20-16(22)25-2/h3-6,9-10H,7-8H2,1-2H3,(H,17,21)(H,20,22)
InChIKey
LCIIQNPZVOQTFS-UHFFFAOYSA-N
Compound name
methyl N-[4-[2-[(5-methylpyrazine-2-carbonyl)amino]ethyl]phenyl]sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

378.0998 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.10708 184.0
[M+Na]+ 401.08902 193.1
[M+NH4]+ 396.13362 187.3
[M+K]+ 417.06296 188.1
[M-H]- 377.09252 184.5
[M+Na-2H]- 399.07447 189.4
[M]+ 378.09925 185.4
[M]- 378.10035 185.4
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