CID 3846909

303060-30-2

Structural Information

Molecular Formula
C26H18BrClN2O
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC(=CC=C6)Br
InChI
InChI=1S/C26H18BrClN2O/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
RRFGEYFUOGSDMF-UHFFFAOYSA-N
Compound name
5-(3-bromophenyl)-9-chloro-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

488.0291 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.03638 215.3
[M+Na]+ 511.01832 227.5
[M-H]- 487.02182 227.1
[M+NH4]+ 506.06292 227.8
[M+K]+ 526.99226 214.1
[M+H-H2O]+ 471.02636 211.4
[M+HCOO]- 533.02730 223.4
[M+CH3COO]- 547.04295 225.3
[M+Na-2H]- 509.00377 217.3
[M]+ 488.02855 235.0
[M]- 488.02965 235.0
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.