CID 3121689

(9-bromo-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl)(phenyl)methanone

Structural Information

Molecular Formula
C23H17BrN2O2
SMILES
C1C2C3=C(C=CC(=C3)Br)OC(N2N=C1C4=CC=CC=C4)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C23H17BrN2O2/c24-17-11-12-21-18(13-17)20-14-19(15-7-3-1-4-8-15)25-26(20)23(28-21)22(27)16-9-5-2-6-10-16/h1-13,20,23H,14H2
InChIKey
OMKBOWOWNSAJIP-UHFFFAOYSA-N
Compound name
(9-bromo-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.04733 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.05461 199.3
[M+Na]+ 455.03655 209.1
[M-H]- 431.04005 210.6
[M+NH4]+ 450.08115 211.9
[M+K]+ 471.01049 197.7
[M+H-H2O]+ 415.04459 196.2
[M+HCOO]- 477.04553 212.8
[M+CH3COO]- 491.06118 210.0
[M+Na-2H]- 453.02200 202.0
[M]+ 432.04678 216.9
[M]- 432.04788 216.9
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.