CID 16077111

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

Structural Information

Molecular Formula
C33H32FN3O3
SMILES
C=CCN(C1CCCCC1)C(=O)C2=CC=C(C=C2)C3=NN4C(C3)C5=CC=CC=C5OC4C(=O)C6=CC=C(C=C6)F
InChI
InChI=1S/C33H32FN3O3/c1-2-20-36(26-8-4-3-5-9-26)32(39)24-14-12-22(13-15-24)28-21-29-27-10-6-7-11-30(27)40-33(37(29)35-28)31(38)23-16-18-25(34)19-17-23/h2,6-7,10-19,26,29,33H,1,3-5,8-9,20-21H2
InChIKey
ICLTXQLJTUTCDY-UHFFFAOYSA-N
Compound name
N-cyclohexyl-4-[5-(4-fluorobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-N-prop-2-enylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.2428 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.25008 231.7
[M+Na]+ 560.23202 232.9
[M-H]- 536.23552 241.4
[M+NH4]+ 555.27662 234.6
[M+K]+ 576.20596 226.9
[M+H-H2O]+ 520.24006 217.1
[M+HCOO]- 582.24100 240.2
[M+CH3COO]- 596.25665 235.6
[M+Na-2H]- 558.21747 225.9
[M]+ 537.24225 226.2
[M]- 537.24335 226.2
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.