CID 16077086

4-[5-(4-fluorobenzoyl)-5,10b-dihydro-1h-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-n-(tetrahydrofuran-2-ylmethyl)benzamide

Structural Information

Molecular Formula
C29H26FN3O4
SMILES
C1CC(OC1)CNC(=O)C2=CC=C(C=C2)C3=NN4C(C3)C5=CC=CC=C5OC4C(=O)C6=CC=C(C=C6)F
InChI
InChI=1S/C29H26FN3O4/c30-21-13-11-19(12-14-21)27(34)29-33-25(23-5-1-2-6-26(23)37-29)16-24(32-33)18-7-9-20(10-8-18)28(35)31-17-22-4-3-15-36-22/h1-2,5-14,22,25,29H,3-4,15-17H2,(H,31,35)
InChIKey
CCTDZQWFDCJLDJ-UHFFFAOYSA-N
Compound name
4-[5-(4-fluorobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-N-(oxolan-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.19073 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.19801 217.0
[M+Na]+ 522.17995 220.8
[M-H]- 498.18345 228.2
[M+NH4]+ 517.22455 222.1
[M+K]+ 538.15389 216.7
[M+H-H2O]+ 482.18799 205.7
[M+HCOO]- 544.18893 228.2
[M+CH3COO]- 558.20458 223.4
[M+Na-2H]- 520.16540 212.5
[M]+ 499.19018 214.8
[M]- 499.19128 214.8
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.