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 214.3
[M+Na]+ 505.05222 223.7
[M-H]- 481.05572 226.0
[M+NH4]+ 500.09682 225.4
[M+K]+ 521.02616 212.0
[M+H-H2O]+ 465.06026 210.2
[M+HCOO]- 527.06120 225.7
[M+CH3COO]- 541.07685 223.7
[M+Na-2H]- 503.03767 216.2
[M]+ 482.06245 231.6
[M]- 482.06355 231.6
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.