CID 16728190

2-[[5-methyl-4-(8-methyltetralin-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-n-(2-methyl-4-sulfamoyl-phenyl)acetamide

Structural Information

Molecular Formula
C23H27N5O3S2
SMILES
CC1=C2CCCCC2=C(C=C1)N3C(=NN=C3SCC(=O)NC4=C(C=C(C=C4)S(=O)(=O)N)C)C
InChI
InChI=1S/C23H27N5O3S2/c1-14-8-11-21(19-7-5-4-6-18(14)19)28-16(3)26-27-23(28)32-13-22(29)25-20-10-9-17(12-15(20)2)33(24,30)31/h8-12H,4-7,13H2,1-3H3,(H,25,29)(H2,24,30,31)
InChIKey
XEWDVMSKYNRGMT-UHFFFAOYSA-N
Compound name
2-[[5-methyl-4-(4-methyl-5,6,7,8-tetrahydronaphthalen-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

485.15552 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.16280 213.5
[M+Na]+ 508.14474 220.7
[M-H]- 484.14824 219.4
[M+NH4]+ 503.18934 220.0
[M+K]+ 524.11868 213.0
[M+H-H2O]+ 468.15278 205.3
[M+HCOO]- 530.15372 219.8
[M+CH3COO]- 544.16937 239.8
[M+Na-2H]- 506.13019 212.4
[M]+ 485.15497 216.0
[M]- 485.15607 216.0
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.