CID 3318137

302914-24-5

Structural Information

Molecular Formula
C22H15BrCl2N2O
SMILES
C1C2C3=C(C(=CC(=C3)Cl)Cl)OC(N2N=C1C4=CC=CC=C4)C5=CC=C(C=C5)Br
InChI
InChI=1S/C22H15BrCl2N2O/c23-15-8-6-14(7-9-15)22-27-20(12-19(26-27)13-4-2-1-3-5-13)17-10-16(24)11-18(25)21(17)28-22/h1-11,20,22H,12H2
InChIKey
UXDSATGWDPNBSY-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-7,9-dichloro-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.9745 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.98178 204.9
[M+Na]+ 494.96372 218.8
[M-H]- 470.96722 215.7
[M+NH4]+ 490.00832 218.3
[M+K]+ 510.93766 204.9
[M+H-H2O]+ 454.97176 202.2
[M+HCOO]- 516.97270 210.1
[M+CH3COO]- 530.98835 215.9
[M+Na-2H]- 492.94917 206.6
[M]+ 471.97395 226.3
[M]- 471.97505 226.3
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.