CID 45054379

Dtxsid101119221

Structural Information

Molecular Formula
C24H16Br2N2OS
SMILES
C1C2C3=C(C(=CC(=C3)Br)Br)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC=CS6
InChI
InChI=1S/C24H16Br2N2OS/c25-17-11-18-21-13-20(16-8-7-14-4-1-2-5-15(14)10-16)27-28(21)24(22-6-3-9-30-22)29-23(18)19(26)12-17/h1-12,21,24H,13H2
InChIKey
UJSBWNACCBJJCB-UHFFFAOYSA-N
Compound name
7,9-dibromo-2-naphthalen-2-yl-5-thiophen-2-yl-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

537.935 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.94228 190.7
[M+Na]+ 560.92422 203.4
[M-H]- 536.92772 203.9
[M+NH4]+ 555.96882 205.5
[M+K]+ 576.89816 190.9
[M+H-H2O]+ 520.93226 200.6
[M+HCOO]- 582.93320 200.0
[M+CH3COO]- 596.94885 202.8
[M+Na-2H]- 558.90967 192.9
[M]+ 537.93445 227.7
[M]- 537.93555 227.7
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.