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 191.2
[M+Na]+ 506.96780 202.2
[M-H]- 482.97130 200.9
[M+NH4]+ 502.01240 206.7
[M+K]+ 522.94174 188.7
[M+H-H2O]+ 466.97584 198.3
[M+HCOO]- 528.97678 200.6
[M+CH3COO]- 542.99243 202.3
[M+Na-2H]- 504.95325 195.2
[M]+ 483.97803 226.1
[M]- 483.97913 226.1
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.