CID 45054377

763110-08-3

Structural Information

Molecular Formula
C27H20Br2N2O
SMILES
CC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C(=CC(=C6)Br)Br
InChI
InChI=1S/C27H20Br2N2O/c1-16-6-8-18(9-7-16)27-31-25(22-13-21(28)14-23(29)26(22)32-27)15-24(30-31)20-11-10-17-4-2-3-5-19(17)12-20/h2-14,25,27H,15H2,1H3
InChIKey
JTEUIEVLDJGUMW-UHFFFAOYSA-N
Compound name
7,9-dibromo-5-(4-methylphenyl)-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

545.99426 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.00154 204.5
[M+Na]+ 568.98348 202.8
[M+NH4]+ 564.02808 207.0
[M+K]+ 584.95742 206.4
[M-H]- 544.98698 209.1
[M+Na-2H]- 566.96893 205.3
[M]+ 545.99371 204.8
[M]- 545.99481 204.8
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.