CID 16077106

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

Structural Information

Molecular Formula
C26H22FN3O3
SMILES
CCNC(=O)C1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C(=O)C5=CC=C(C=C5)F
InChI
InChI=1S/C26H22FN3O3/c1-2-28-25(32)18-9-7-16(8-10-18)21-15-22-20-5-3-4-6-23(20)33-26(30(22)29-21)24(31)17-11-13-19(27)14-12-17/h3-14,22,26H,2,15H2,1H3,(H,28,32)
InChIKey
VJSUURWZUWNFSZ-UHFFFAOYSA-N
Compound name
N-ethyl-4-[5-(4-fluorobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.16452 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.17180 207.3
[M+Na]+ 466.15374 213.5
[M-H]- 442.15724 215.1
[M+NH4]+ 461.19834 214.9
[M+K]+ 482.12768 207.7
[M+H-H2O]+ 426.16178 195.0
[M+HCOO]- 488.16272 221.0
[M+CH3COO]- 502.17837 214.8
[M+Na-2H]- 464.13919 206.8
[M]+ 443.16397 206.4
[M]- 443.16507 206.4
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.