CID 45054382

763110-07-2

Structural Information

Molecular Formula
C26H17Br2ClN2O
SMILES
C1C2C3=C(C(=CC(=C3)Br)Br)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6Cl
InChI
InChI=1S/C26H17Br2ClN2O/c27-18-12-20-24-14-23(17-10-9-15-5-1-2-6-16(15)11-17)30-31(24)26(32-25(20)21(28)13-18)19-7-3-4-8-22(19)29/h1-13,24,26H,14H2
InChIKey
LCAMYYOJWIQBCI-UHFFFAOYSA-N
Compound name
7,9-dibromo-5-(2-chlorophenyl)-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

565.93964 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.94692 211.5
[M+Na]+ 588.92886 222.0
[M-H]- 564.93236 222.7
[M+NH4]+ 583.97346 222.9
[M+K]+ 604.90280 207.9
[M+H-H2O]+ 548.93690 217.7
[M+HCOO]- 610.93784 216.6
[M+CH3COO]- 624.95349 220.9
[M+Na-2H]- 586.91431 212.8
[M]+ 565.93909 246.2
[M]- 565.94019 246.2
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.