CID 16077101

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

Structural Information

Molecular Formula
C32H27FN4O3
SMILES
CN(C)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=NN4C(C3)C5=CC=CC=C5OC4C(=O)C6=CC=C(C=C6)F
InChI
InChI=1S/C32H27FN4O3/c1-36(2)25-17-15-24(16-18-25)34-31(39)22-9-7-20(8-10-22)27-19-28-26-5-3-4-6-29(26)40-32(37(28)35-27)30(38)21-11-13-23(33)14-12-21/h3-18,28,32H,19H2,1-2H3,(H,34,39)
InChIKey
FXEULPOVGABPJP-UHFFFAOYSA-N
Compound name
N-[4-(dimethylamino)phenyl]-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

534.2067 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.21398 229.9
[M+Na]+ 557.19592 234.1
[M-H]- 533.19942 241.5
[M+NH4]+ 552.24052 233.2
[M+K]+ 573.16986 228.8
[M+H-H2O]+ 517.20396 215.5
[M+HCOO]- 579.20490 243.7
[M+CH3COO]- 593.22055 235.5
[M+Na-2H]- 555.18137 228.0
[M]+ 534.20615 229.1
[M]- 534.20725 229.1
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.