CID 16077110

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

Structural Information

Molecular Formula
C31H30FN3O3
SMILES
CN(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/C31H30FN3O3/c1-34(24-7-3-2-4-8-24)30(37)22-13-11-20(12-14-22)26-19-27-25-9-5-6-10-28(25)38-31(35(27)33-26)29(36)21-15-17-23(32)18-16-21/h5-6,9-18,24,27,31H,2-4,7-8,19H2,1H3
InChIKey
ZTEKXZKCSHEZFI-UHFFFAOYSA-N
Compound name
N-cyclohexyl-4-[5-(4-fluorobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.2271 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.23438 223.8
[M+Na]+ 534.21632 225.7
[M-H]- 510.21982 234.0
[M+NH4]+ 529.26092 227.9
[M+K]+ 550.19026 220.6
[M+H-H2O]+ 494.22436 209.6
[M+HCOO]- 556.22530 232.9
[M+CH3COO]- 570.24095 228.7
[M+Na-2H]- 532.20177 219.1
[M]+ 511.22655 218.6
[M]- 511.22765 218.6
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.