CID 137402358

Selnoflast

Structural Information

Molecular Formula
C20H29N3O3S
SMILES
CCN1CCC(CC1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4
InChI
InChI=1S/C20H29N3O3S/c1-2-23-11-9-16(10-12-23)27(25,26)22-20(24)21-19-17-7-3-5-14(17)13-15-6-4-8-18(15)19/h13,16H,2-12H2,1H3,(H2,21,22,24)
InChIKey
OHIFQOUPTWBQLE-UHFFFAOYSA-N
Compound name
1-(1-ethylpiperidin-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

52
Patents

391.19296 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.20024 191.0
[M+Na]+ 414.18218 194.2
[M-H]- 390.18568 196.7
[M+NH4]+ 409.22678 206.4
[M+K]+ 430.15612 190.1
[M+H-H2O]+ 374.19022 185.1
[M+HCOO]- 436.19116 201.8
[M+CH3COO]- 450.20681 220.9
[M+Na-2H]- 412.16763 190.1
[M]+ 391.19241 188.7
[M]- 391.19351 188.7
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

patents stripe