CID 16077107

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

Structural Information

Molecular Formula
C27H24FN3O3
SMILES
CC(C)NC(=O)C1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C(=O)C5=CC=C(C=C5)F
InChI
InChI=1S/C27H24FN3O3/c1-16(2)29-26(33)19-9-7-17(8-10-19)22-15-23-21-5-3-4-6-24(21)34-27(31(23)30-22)25(32)18-11-13-20(28)14-12-18/h3-14,16,23,27H,15H2,1-2H3,(H,29,33)
InChIKey
SKLFGACKQDTWJG-UHFFFAOYSA-N
Compound name
4-[5-(4-fluorobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-N-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.18018 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.18746 211.5
[M+Na]+ 480.16940 216.8
[M-H]- 456.17290 219.2
[M+NH4]+ 475.21400 218.4
[M+K]+ 496.14334 211.5
[M+H-H2O]+ 440.17744 199.3
[M+HCOO]- 502.17838 223.8
[M+CH3COO]- 516.19403 218.4
[M+Na-2H]- 478.15485 209.5
[M]+ 457.17963 210.4
[M]- 457.18073 210.4
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.