CID 16077108

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

Structural Information

Molecular Formula
C30H29FN4O3
SMILES
CN1CCC(CC1)NC(=O)C2=CC=C(C=C2)C3=NN4C(C3)C5=CC=CC=C5OC4C(=O)C6=CC=C(C=C6)F
InChI
InChI=1S/C30H29FN4O3/c1-34-16-14-23(15-17-34)32-29(37)21-8-6-19(7-9-21)25-18-26-24-4-2-3-5-27(24)38-30(35(26)33-25)28(36)20-10-12-22(31)13-11-20/h2-13,23,26,30H,14-18H2,1H3,(H,32,37)
InChIKey
DURIHBMEVKPXJK-UHFFFAOYSA-N
Compound name
4-[5-(4-fluorobenzoyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]-N-(1-methylpiperidin-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.22235 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.22963 224.5
[M+Na]+ 535.21157 227.7
[M-H]- 511.21507 232.7
[M+NH4]+ 530.25617 227.0
[M+K]+ 551.18551 221.2
[M+H-H2O]+ 495.21961 209.9
[M+HCOO]- 557.22055 232.1
[M+CH3COO]- 571.23620 228.9
[M+Na-2H]- 533.19702 220.3
[M]+ 512.22180 218.8
[M]- 512.22290 218.8
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.