CID 446237

4-(aminosulfonyl)-n-[(4-fluorophenyl)methyl]-benzamide

Structural Information

Molecular Formula
C14H13FN2O3S
SMILES
C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N)F
InChI
InChI=1S/C14H13FN2O3S/c15-12-5-1-10(2-6-12)9-17-14(18)11-3-7-13(8-4-11)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKey
IXDVPACDZDRCTN-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-4-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

116
Patents

308.06308 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.07036 166.2
[M+Na]+ 331.05230 173.6
[M-H]- 307.05580 171.3
[M+NH4]+ 326.09690 180.3
[M+K]+ 347.02624 168.5
[M+H-H2O]+ 291.06034 157.6
[M+HCOO]- 353.06128 184.2
[M+CH3COO]- 367.07693 204.6
[M+Na-2H]- 329.03775 169.2
[M]+ 308.06253 165.6
[M]- 308.06363 165.6
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