CID 16077096

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

Structural Information

Molecular Formula
C30H30FN3O3
SMILES
CC(C)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/C30H30FN3O3/c1-18(2)16-19(3)32-29(36)22-10-8-20(9-11-22)25-17-26-24-6-4-5-7-27(24)37-30(34(26)33-25)28(35)21-12-14-23(31)15-13-21/h4-15,18-19,26,30H,16-17H2,1-3H3,(H,32,36)
InChIKey
RQQKKVOGMVFFEW-UHFFFAOYSA-N
Compound name
4-[5-(4-fluorobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-N-(4-methylpentan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.2271 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.23438 224.3
[M+Na]+ 522.21632 227.7
[M-H]- 498.21982 231.4
[M+NH4]+ 517.26092 229.2
[M+K]+ 538.19026 222.6
[M+H-H2O]+ 482.22436 211.9
[M+HCOO]- 544.22530 234.5
[M+CH3COO]- 558.24095 229.7
[M+Na-2H]- 520.20177 219.7
[M]+ 499.22655 223.5
[M]- 499.22765 223.5
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.