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]+ 375.150346 190.2
[M+Na]+ 397.132288 199.2
[M-H]- 373.135794 198.4
[M+NH4]+ 392.176893 201.5
[M+K]+ 413.106228 193.1
[M+H-H2O]+ 357.140330 178.2
[M+HCOO]- 419.141271 205.5
[M+CH3COO]- 433.156921 199.9
[M+Na-2H]- 395.117736 192.2
[M]+ 374.14252142 190.1
[M]- 374.14361858 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.