CID 3308472

303060-11-9

Structural Information

Molecular Formula
C26H18BrFN2O
SMILES
C1C2C3=C(C=CC(=C3)Br)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC=C(C=C6)F
InChI
InChI=1S/C26H18BrFN2O/c27-20-9-12-25-22(14-20)24-15-23(19-6-5-16-3-1-2-4-18(16)13-19)29-30(24)26(31-25)17-7-10-21(28)11-8-17/h1-14,24,26H,15H2
InChIKey
MMFHOAYLMDPKLP-UHFFFAOYSA-N
Compound name
9-bromo-5-(4-fluorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.05865 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.06593 214.4
[M+Na]+ 495.04787 225.6
[M-H]- 471.05137 225.3
[M+NH4]+ 490.09247 226.5
[M+K]+ 511.02181 212.8
[M+H-H2O]+ 455.05591 209.5
[M+HCOO]- 517.05685 225.8
[M+CH3COO]- 531.07250 224.0
[M+Na-2H]- 493.03332 216.0
[M]+ 472.05810 230.9
[M]- 472.05920 230.9
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.