CID 3131192

303060-49-3

Structural Information

Molecular Formula
C26H19BrN2O2
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=C(C=CC(=C6)Br)O
InChI
InChI=1S/C26H19BrN2O2/c27-19-11-12-24(30)21(14-19)26-29-23(20-7-3-4-8-25(20)31-26)15-22(28-29)18-10-9-16-5-1-2-6-17(16)13-18/h1-14,23,26,30H,15H2
InChIKey
SMXFFUBYUKAKJJ-UHFFFAOYSA-N
Compound name
4-bromo-2-(2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.063 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.07028 211.4
[M+Na]+ 493.05222 221.8
[M-H]- 469.05572 222.4
[M+NH4]+ 488.09682 222.8
[M+K]+ 509.02616 209.6
[M+H-H2O]+ 453.06026 207.6
[M+HCOO]- 515.06120 222.5
[M+CH3COO]- 529.07685 221.0
[M+Na-2H]- 491.03767 213.8
[M]+ 470.06245 228.5
[M]- 470.06355 228.5
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.