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]+ 468.17000 208.6
[M+Na]+ 490.15194 212.3
[M-H]- 466.15544 216.8
[M+NH4]+ 485.19654 209.8
[M+K]+ 506.12588 207.1
[M+H-H2O]+ 450.15998 196.2
[M+HCOO]- 512.16092 219.2
[M+CH3COO]- 526.17657 214.6
[M+Na-2H]- 488.13739 212.3
[M]+ 467.16217 207.2
[M]- 467.16327 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