CID 3121865

303060-81-3

Structural Information

Molecular Formula
C23H19BrN2O2
SMILES
COC1=CC=C(C=C1)C2=NN3C(C2)C4=CC=CC=C4OC3C5=CC=C(C=C5)Br
InChI
InChI=1S/C23H19BrN2O2/c1-27-18-12-8-15(9-13-18)20-14-21-19-4-2-3-5-22(19)28-23(26(21)25-20)16-6-10-17(24)11-7-16/h2-13,21,23H,14H2,1H3
InChIKey
MSPMMWWNSXFDOF-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-2-(4-methoxyphenyl)-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

434.063 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.07028 198.4
[M+Na]+ 457.05222 205.8
[M+NH4]+ 452.09682 203.8
[M+K]+ 473.02616 203.8
[M-H]- 433.05572 204.4
[M+Na-2H]- 455.03767 202.6
[M]+ 434.06245 200.3
[M]- 434.06355 200.3
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.