CID 11532847

Schembl5790121

Structural Information

Molecular Formula
C23H25N5O4S
SMILES
CC1=CN=C(C=N1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)N4CCOCC4
InChI
InChI=1S/C23H25N5O4S/c1-17-14-25-20(15-24-17)16-26-23(29)18-2-8-22(9-3-18)33(30,31)27-19-4-6-21(7-5-19)28-10-12-32-13-11-28/h2-9,14-15,27H,10-13,16H2,1H3,(H,26,29)
InChIKey
YPOKNVVARAKLIC-UHFFFAOYSA-N
Compound name
N-[(5-methylpyrazin-2-yl)methyl]-4-[(4-morpholin-4-ylphenyl)sulfamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

467.16272 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.169996 208.6
[M+Na]+ 490.151938 212.3
[M-H]- 466.155444 216.8
[M+NH4]+ 485.196543 209.8
[M+K]+ 506.125878 207.1
[M+H-H2O]+ 450.159980 196.2
[M+HCOO]- 512.160921 219.2
[M+CH3COO]- 526.176571 214.6
[M+Na-2H]- 488.137386 212.3
[M]+ 467.16217142 207.2
[M]- 467.16326858 207.2
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