CID 135240787

2238819-65-1

Structural Information

Molecular Formula
C19H22N4O4S
SMILES
C1CC2=CC3=C(CCC3)C(=C2C1)NC(=O)NS(=O)(=O)C4=C5N(CCCO5)N=C4
InChI
InChI=1S/C19H22N4O4S/c24-19(22-28(25,26)16-11-20-23-8-3-9-27-18(16)23)21-17-14-6-1-4-12(14)10-13-5-2-7-15(13)17/h10-11H,1-9H2,(H2,21,22,24)
InChIKey
KWSGPJCQWZMUQM-UHFFFAOYSA-N
Compound name
1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

16
Patents

402.13617 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.14345 187.3
[M+Na]+ 425.12539 193.2
[M-H]- 401.12889 195.0
[M+NH4]+ 420.16999 202.5
[M+K]+ 441.09933 191.2
[M+H-H2O]+ 385.13343 183.0
[M+HCOO]- 447.13437 199.0
[M+CH3COO]- 461.15002 196.7
[M+Na-2H]- 423.11084 188.6
[M]+ 402.13562 188.9
[M]- 402.13672 188.9
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