CID 3121966

332062-67-6

Structural Information

Molecular Formula
C17H17ClN2OS
SMILES
CC(C)C1N2C(CC(=N2)C3=CC=CS3)C4=C(O1)C=CC(=C4)Cl
InChI
InChI=1S/C17H17ClN2OS/c1-10(2)17-20-14(9-13(19-20)16-4-3-7-22-16)12-8-11(18)5-6-15(12)21-17/h3-8,10,14,17H,9H2,1-2H3
InChIKey
DTKVSVBSSIOTDD-UHFFFAOYSA-N
Compound name
9-chloro-5-propan-2-yl-2-thiophen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

332.075 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.08228 173.9
[M+Na]+ 355.06422 188.4
[M+NH4]+ 350.10882 184.1
[M+K]+ 371.03816 182.0
[M-H]- 331.06772 179.5
[M+Na-2H]- 353.04967 178.5
[M]+ 332.07445 178.5
[M]- 332.07555 178.5
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

No patent data available for this compound.