CID 3121949

330209-45-5

Structural Information

Molecular Formula
C20H15FN2OS
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=CS4)C5=CC=C(C=C5)F
InChI
InChI=1S/C20H15FN2OS/c21-14-9-7-13(8-10-14)20-23-17(15-4-1-2-5-18(15)24-20)12-16(22-23)19-6-3-11-25-19/h1-11,17,20H,12H2
InChIKey
JTOGDMHNTGWQLL-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-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

0
References

0
Patents

350.0889 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09618 178.3
[M+Na]+ 373.07812 189.3
[M-H]- 349.08162 187.7
[M+NH4]+ 368.12272 194.0
[M+K]+ 389.05206 183.7
[M+H-H2O]+ 333.08616 170.2
[M+HCOO]- 395.08710 191.9
[M+CH3COO]- 409.10275 189.7
[M+Na-2H]- 371.06357 177.7
[M]+ 350.08835 180.0
[M]- 350.08945 180.0
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

No patent data available for this compound.