CID 146225627

Jt002

Structural Information

Molecular Formula
C20H24N4O5S
SMILES
CO[C@H]1CN2C(=C(C=N2)S(=O)(=O)NC(=O)NC3=C4CCCC4=CC5=C3CCC5)OC1
InChI
InChI=1S/C20H24N4O5S/c1-28-14-10-24-19(29-11-14)17(9-21-24)30(26,27)23-20(25)22-18-15-6-2-4-12(15)8-13-5-3-7-16(13)18/h8-9,14H,2-7,10-11H2,1H3,(H2,22,23,25)/t14-/m0/s1
InChIKey
CNMWUSIUEKOFMW-AWEZNQCLSA-N
Compound name
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6S)-6-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

432.14673 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.15401 194.9
[M+Na]+ 455.13595 201.0
[M+NH4]+ 450.18055 200.7
[M+K]+ 471.10989 201.6
[M-H]- 431.13945 197.4
[M+Na-2H]- 453.12140 195.0
[M]+ 432.14618 196.4
[M]- 432.14728 196.4
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