CID 3684669

302914-06-3

Structural Information

Molecular Formula
C23H17BrCl2N2O
SMILES
CC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=C(O2)C(=CC(=C5)Cl)Cl
InChI
InChI=1S/C23H17BrCl2N2O/c1-13-2-4-15(5-3-13)23-28-21(18-10-17(25)11-19(26)22(18)29-23)12-20(27-28)14-6-8-16(24)9-7-14/h2-11,21,23H,12H2,1H3
InChIKey
AOVHEPBYWCROJX-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-7,9-dichloro-5-(4-methylphenyl)-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

485.99014 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.99742 210.2
[M+Na]+ 508.97936 224.3
[M-H]- 484.98286 221.1
[M+NH4]+ 504.02396 223.2
[M+K]+ 524.95330 210.3
[M+H-H2O]+ 468.98740 207.4
[M+HCOO]- 530.98834 214.9
[M+CH3COO]- 545.00399 220.9
[M+Na-2H]- 506.96481 210.6
[M]+ 485.98959 232.2
[M]- 485.99069 232.2
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.