CID 122480653

Emlenoflast

Structural Information

Molecular Formula
C19H24N4O3S
SMILES
CC(C)N1C=CC(=N1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4
InChI
InChI=1S/C19H24N4O3S/c1-12(2)23-10-9-17(21-23)27(25,26)22-19(24)20-18-15-7-3-5-13(15)11-14-6-4-8-16(14)18/h9-12H,3-8H2,1-2H3,(H2,20,22,24)
InChIKey
MTOUOUSKXWSTAX-UHFFFAOYSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

104
Patents

388.15692 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.16420 188.0
[M+Na]+ 411.14614 194.0
[M+NH4]+ 406.19074 194.0
[M+K]+ 427.12008 194.1
[M-H]- 387.14964 189.2
[M+Na-2H]- 409.13159 189.8
[M]+ 388.15637 189.1
[M]- 388.15747 189.1
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