CID 5072749

303060-43-7

Structural Information

Molecular Formula
C27H19BrN2O2
SMILES
C1C2C3=CC=CC=C3OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C(=O)C6=CC=C(C=C6)Br
InChI
InChI=1S/C27H19BrN2O2/c28-21-13-11-18(12-14-21)26(31)27-30-24(22-7-3-4-8-25(22)32-27)16-23(29-30)20-10-9-17-5-1-2-6-19(17)15-20/h1-15,24,27H,16H2
InChIKey
FASBCGDNEYSTPI-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-(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

482.063 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.07028 208.9
[M+Na]+ 505.05222 216.9
[M+NH4]+ 500.09682 214.4
[M+K]+ 521.02616 214.3
[M-H]- 481.05572 215.3
[M+Na-2H]- 503.03767 212.8
[M]+ 482.06245 211.1
[M]- 482.06355 211.1
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.