CID 16077087

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

Structural Information

Molecular Formula
C28H27FN4O3
SMILES
CN(C)CCNC(=O)C1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C(=O)C5=CC=C(C=C5)F
InChI
InChI=1S/C28H27FN4O3/c1-32(2)16-15-30-27(35)20-9-7-18(8-10-20)23-17-24-22-5-3-4-6-25(22)36-28(33(24)31-23)26(34)19-11-13-21(29)14-12-19/h3-14,24,28H,15-17H2,1-2H3,(H,30,35)
InChIKey
WEDPQNUJJRBGAG-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)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

486.20673 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.21401 218.7
[M+Na]+ 509.19595 223.0
[M-H]- 485.19945 227.4
[M+NH4]+ 504.24055 224.7
[M+K]+ 525.16989 218.5
[M+H-H2O]+ 469.20399 205.7
[M+HCOO]- 531.20493 233.1
[M+CH3COO]- 545.22058 225.2
[M+Na-2H]- 507.18140 217.5
[M]+ 486.20618 219.0
[M]- 486.20728 219.0
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.