CID 5072745

303060-38-0

Structural Information

Molecular Formula
C26H17BrCl2N2O
SMILES
C1C2C3=C(C(=CC(=C3)Cl)Cl)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC=C(C=C6)Br
InChI
InChI=1S/C26H17BrCl2N2O/c27-19-9-7-16(8-10-19)26-31-24(21-12-20(28)13-22(29)25(21)32-26)14-23(30-31)18-6-5-15-3-1-2-4-17(15)11-18/h1-13,24,26H,14H2
InChIKey
WTVHSYFUKQQMGD-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-7,9-dichloro-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

521.9901 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.99738 220.1
[M+Na]+ 544.97932 233.6
[M-H]- 520.98282 231.3
[M+NH4]+ 540.02392 232.1
[M+K]+ 560.95326 219.8
[M+H-H2O]+ 504.98736 216.3
[M+HCOO]- 566.98830 223.4
[M+CH3COO]- 581.00395 229.7
[M+Na-2H]- 542.96477 220.8
[M]+ 521.98955 241.4
[M]- 521.99065 241.4
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.