CID 16728194

2-[[5-(difluoromethyl)-4-(4-ethyl-1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(2-methyl-4-sulfamoyl-phenyl)acetamide

Structural Information

Molecular Formula
C24H23F2N5O3S2
SMILES
CCC1=CC=C(C2=CC=CC=C12)N3C(=NN=C3SCC(=O)NC4=C(C=C(C=C4)S(=O)(=O)N)C)C(F)F
InChI
InChI=1S/C24H23F2N5O3S2/c1-3-15-8-11-20(18-7-5-4-6-17(15)18)31-23(22(25)26)29-30-24(31)35-13-21(32)28-19-10-9-16(12-14(19)2)36(27,33)34/h4-12,22H,3,13H2,1-2H3,(H,28,32)(H2,27,33,34)
InChIKey
HGUKPQRVJMBLIQ-UHFFFAOYSA-N
Compound name
2-[[5-(difluoromethyl)-4-(4-ethylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.12103 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.12831 220.9
[M+Na]+ 554.11025 230.0
[M-H]- 530.11375 225.2
[M+NH4]+ 549.15485 225.4
[M+K]+ 570.08419 221.1
[M+H-H2O]+ 514.11829 210.5
[M+HCOO]- 576.11923 227.8
[M+CH3COO]- 590.13488 247.3
[M+Na-2H]- 552.09570 220.0
[M]+ 531.12048 225.1
[M]- 531.12158 225.1
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

No patent data available for this compound.