CID 45054354

763111-28-0

Structural Information

Molecular Formula
C22H18Br2N2O
SMILES
CC1(N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=C(O1)C(=CC(=C5)Br)Br)C
InChI
InChI=1S/C22H18Br2N2O/c1-22(2)26-20(17-10-16(23)11-18(24)21(17)27-22)12-19(25-26)15-8-7-13-5-3-4-6-14(13)9-15/h3-11,20H,12H2,1-2H3
InChIKey
IYMPZFQVGFFXQN-UHFFFAOYSA-N
Compound name
7,9-dibromo-5,5-dimethyl-2-naphthalen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.97858 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.98586 193.7
[M+Na]+ 506.96780 190.8
[M+NH4]+ 502.01240 196.9
[M+K]+ 522.94174 194.5
[M-H]- 482.97130 196.9
[M+Na-2H]- 504.95325 194.2
[M]+ 483.97803 193.5
[M]- 483.97913 193.5
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.