CID 3308479

303060-18-6

Structural Information

Molecular Formula
C26H18BrClN2O2
SMILES
C1C2C3=C(C=CC(=C3)Br)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=C(C=CC(=C6)Cl)O
InChI
InChI=1S/C26H18BrClN2O2/c27-18-7-10-25-20(12-18)23-14-22(17-6-5-15-3-1-2-4-16(15)11-17)29-30(23)26(32-25)21-13-19(28)8-9-24(21)31/h1-13,23,26,31H,14H2
InChIKey
UBLCMNDKWHWZGA-UHFFFAOYSA-N
Compound name
2-(9-bromo-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)-4-chlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.02402 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.03130 216.4
[M+Na]+ 527.01324 225.9
[M+NH4]+ 522.05784 222.3
[M+K]+ 542.98718 222.2
[M-H]- 503.01674 223.1
[M+Na-2H]- 524.99869 219.7
[M]+ 504.02347 219.2
[M]- 504.02457 219.2
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.