CID 166926318

Ipg7236

Structural Information

Molecular Formula
C23H31N3O3S
SMILES
CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)S(=O)(=O)N[C@H](C)C3CCN(CC3)C)C
InChI
InChI=1S/C23H31N3O3S/c1-16-7-5-6-8-21(16)23(27)24-22-10-9-20(15-17(22)2)30(28,29)25-18(3)19-11-13-26(4)14-12-19/h5-10,15,18-19,25H,11-14H2,1-4H3,(H,24,27)/t18-/m1/s1
InChIKey
PDAOEKSLYKFTKF-GOSISDBHSA-N
Compound name
2-methyl-N-[2-methyl-4-[[(1R)-1-(1-methylpiperidin-4-yl)ethyl]sulfamoyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

429.20862 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.21590 201.4
[M+Na]+ 452.19784 211.2
[M+NH4]+ 447.24244 206.8
[M+K]+ 468.17178 203.8
[M-H]- 428.20134 206.0
[M+Na-2H]- 450.18329 207.9
[M]+ 429.20807 204.3
[M]- 429.20917 204.3
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