CID 3121862

303060-80-2

Structural Information

Molecular Formula
C23H19FN2O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C5=CC=C(C=C5)F
InChI
InChI=1S/C23H19FN2O2/c1-27-18-12-8-15(9-13-18)20-14-21-19-4-2-3-5-22(19)28-23(26(21)25-20)16-6-10-17(24)11-7-16/h2-13,21,23H,14H2,1H3
InChIKey
RMPDWYSTALCBRQ-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-2-(4-methoxyphenyl)-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

374.14307 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15035 190.2
[M+Na]+ 397.13229 199.2
[M-H]- 373.13579 198.4
[M+NH4]+ 392.17689 201.5
[M+K]+ 413.10623 193.1
[M+H-H2O]+ 357.14033 178.2
[M+HCOO]- 419.14127 205.5
[M+CH3COO]- 433.15692 199.9
[M+Na-2H]- 395.11774 192.2
[M]+ 374.14252 190.1
[M]- 374.14362 190.1
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.