CID 73389570

Jnj-632

Structural Information

Molecular Formula
C18H19FN2O4S
SMILES
CC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N[C@H]3CCOC3)F
InChI
InChI=1S/C18H19FN2O4S/c1-12-9-14(5-6-17(12)19)20-18(22)13-3-2-4-16(10-13)26(23,24)21-15-7-8-25-11-15/h2-6,9-10,15,21H,7-8,11H2,1H3,(H,20,22)/t15-/m0/s1
InChIKey
JIZGLOVJKCSHTH-HNNXBMFYSA-N
Compound name
N-(4-fluoro-3-methylphenyl)-3-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

82
Patents

378.10495 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11223 185.5
[M+Na]+ 401.09417 191.4
[M-H]- 377.09767 194.7
[M+NH4]+ 396.13877 197.4
[M+K]+ 417.06811 187.9
[M+H-H2O]+ 361.10221 177.0
[M+HCOO]- 423.10315 201.8
[M+CH3COO]- 437.11880 217.3
[M+Na-2H]- 399.07962 186.6
[M]+ 378.10440 185.6
[M]- 378.10550 185.6
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