CID 4993213

303059-96-3

Structural Information

Molecular Formula
C27H18BrClN2O2
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C(=O)C6=CC=C(C=C6)Br
InChI
InChI=1S/C27H18BrClN2O2/c28-20-9-7-17(8-10-20)26(32)27-31-24(22-14-21(29)11-12-25(22)33-27)15-23(30-31)19-6-5-16-3-1-2-4-18(16)13-19/h1-14,24,27H,15H2
InChIKey
QMVSUCPUHYTPQV-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-(9-chloro-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.02405 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.03133 216.3
[M+Na]+ 539.01327 225.4
[M+NH4]+ 534.05787 222.0
[M+K]+ 554.98721 222.0
[M-H]- 515.01677 222.9
[M+Na-2H]- 536.99872 220.0
[M]+ 516.02350 219.1
[M]- 516.02460 219.1
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.