CID 16077077

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

Structural Information

Molecular Formula
C29H29FN4O3
SMILES
CN(C)CCCNC(=O)C1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C(=O)C5=CC=C(C=C5)F
InChI
InChI=1S/C29H29FN4O3/c1-33(2)17-5-16-31-28(36)21-10-8-19(9-11-21)24-18-25-23-6-3-4-7-26(23)37-29(34(25)32-24)27(35)20-12-14-22(30)15-13-20/h3-4,6-15,25,29H,5,16-18H2,1-2H3,(H,31,36)
InChIKey
HERDODGTIBLQFV-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-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

500.22238 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.22966 223.1
[M+Na]+ 523.21160 226.9
[M-H]- 499.21510 231.5
[M+NH4]+ 518.25620 228.4
[M+K]+ 539.18554 222.2
[M+H-H2O]+ 483.21964 209.9
[M+HCOO]- 545.22058 237.2
[M+CH3COO]- 559.23623 229.1
[M+Na-2H]- 521.19705 221.4
[M]+ 500.22183 223.7
[M]- 500.22293 223.7
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.