CID 3686605

303095-28-5

Structural Information

Molecular Formula
C25H24BrN3O2
SMILES
CN(C)C1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC=C(C=C4)OC)C5=C(O2)C=CC(=C5)Br
InChI
InChI=1S/C25H24BrN3O2/c1-28(2)19-9-4-17(5-10-19)25-29-23(21-14-18(26)8-13-24(21)31-25)15-22(27-29)16-6-11-20(30-3)12-7-16/h4-14,23,25H,15H2,1-3H3
InChIKey
FNQRCMMDHDKNSY-UHFFFAOYSA-N
Compound name
4-[9-bromo-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.1052 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.11248 213.1
[M+Na]+ 500.09442 222.8
[M-H]- 476.09792 225.7
[M+NH4]+ 495.13902 224.7
[M+K]+ 516.06836 212.1
[M+H-H2O]+ 460.10246 208.7
[M+HCOO]- 522.10340 227.9
[M+CH3COO]- 536.11905 223.4
[M+Na-2H]- 498.07987 214.4
[M]+ 477.10465 233.7
[M]- 477.10575 233.7
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.