CID 3308475

303060-14-2

Structural Information

Molecular Formula
C26H18Br2N2O
SMILES
C1C2C3=C(C=CC(=C3)Br)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC(=CC=C6)Br
InChI
InChI=1S/C26H18Br2N2O/c27-20-7-3-6-19(13-20)26-30-24(22-14-21(28)10-11-25(22)31-26)15-23(29-30)18-9-8-16-4-1-2-5-17(16)12-18/h1-14,24,26H,15H2
InChIKey
CRVFWUXGGPMLNW-UHFFFAOYSA-N
Compound name
9-bromo-5-(3-bromophenyl)-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

531.9786 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.98588 205.9
[M+Na]+ 554.96782 214.7
[M-H]- 530.97132 217.1
[M+NH4]+ 550.01242 217.4
[M+K]+ 570.94176 201.7
[M+H-H2O]+ 514.97586 212.1
[M+HCOO]- 576.97680 214.7
[M+CH3COO]- 590.99245 215.3
[M+Na-2H]- 552.95327 208.1
[M]+ 531.97805 238.5
[M]- 531.97915 238.5
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.