CID 3121856

5-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C24H21BrN2O2
SMILES
CC1(N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4O1)C5=CC=C(C=C5)Br
InChI
InChI=1S/C24H21BrN2O2/c1-24(17-9-11-18(25)12-10-17)27-22(20-5-3-4-6-23(20)29-24)15-21(26-27)16-7-13-19(28-2)14-8-16/h3-14,22H,15H2,1-2H3
InChIKey
URAQWUKSEIIJRB-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-2-(4-methoxyphenyl)-5-methyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.07864 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.08592 203.1
[M+Na]+ 471.06786 210.3
[M+NH4]+ 466.11246 209.5
[M+K]+ 487.04180 206.7
[M-H]- 447.07136 209.0
[M+Na-2H]- 469.05331 208.2
[M]+ 448.07809 205.2
[M]- 448.07919 205.2
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.