CID 3121856

303060-82-4

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 204.5
[M+Na]+ 471.06786 215.9
[M-H]- 447.07136 216.2
[M+NH4]+ 466.11246 218.8
[M+K]+ 487.04180 204.6
[M+H-H2O]+ 431.07590 200.9
[M+HCOO]- 493.07684 218.5
[M+CH3COO]- 507.09249 215.6
[M+Na-2H]- 469.05331 207.9
[M]+ 448.07809 224.5
[M]- 448.07919 224.5
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.