CID 4230499

477333-58-7

Structural Information

Molecular Formula
C22H17ClFN3O
SMILES
CC1(N2C(CC(=N2)C3=CC=C(C=C3)F)C4=C(O1)C=CC(=C4)Cl)C5=CC=NC=C5
InChI
InChI=1S/C22H17ClFN3O/c1-22(15-8-10-25-11-9-15)27-20(18-12-16(23)4-7-21(18)28-22)13-19(26-27)14-2-5-17(24)6-3-14/h2-12,20H,13H2,1H3
InChIKey
MEEQXGJIRPPVHM-UHFFFAOYSA-N
Compound name
9-chloro-2-(4-fluorophenyl)-5-methyl-5-pyridin-4-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.10443 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.11171 194.4
[M+Na]+ 416.09365 205.9
[M-H]- 392.09715 201.3
[M+NH4]+ 411.13825 206.6
[M+K]+ 432.06759 198.0
[M+H-H2O]+ 376.10169 181.3
[M+HCOO]- 438.10263 203.9
[M+CH3COO]- 452.11828 203.8
[M+Na-2H]- 414.07910 196.9
[M]+ 393.10388 195.7
[M]- 393.10498 195.7
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.