CID 16077105

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

Structural Information

Molecular Formula
C29H22FN3O4
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC=C(C=C4)C(=O)NCC5=CC=CO5)C(=O)C6=CC=C(C=C6)F
InChI
InChI=1S/C29H22FN3O4/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/h1-15,25,29H,16-17H2,(H,31,35)
InChIKey
OWFHNMMOPSQIST-UHFFFAOYSA-N
Compound name
4-[5-(4-fluorobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-N-(furan-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.15942 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.16670 216.0
[M+Na]+ 518.14864 221.8
[M-H]- 494.15214 228.1
[M+NH4]+ 513.19324 221.4
[M+K]+ 534.12258 217.5
[M+H-H2O]+ 478.15668 204.7
[M+HCOO]- 540.15762 230.0
[M+CH3COO]- 554.17327 223.4
[M+Na-2H]- 516.13409 213.4
[M]+ 495.15887 216.6
[M]- 495.15997 216.6
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.