CID 3121900

303060-90-4

Structural Information

Molecular Formula
C20H21BrN2O2
SMILES
CCCC1N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=C(O1)C=CC(=C4)Br
InChI
InChI=1S/C20H21BrN2O2/c1-3-4-20-23-18(16-11-14(21)7-10-19(16)25-20)12-17(22-23)13-5-8-15(24-2)9-6-13/h5-11,18,20H,3-4,12H2,1-2H3
InChIKey
BQKCJKCJYJBMRE-UHFFFAOYSA-N
Compound name
9-bromo-2-(4-methoxyphenyl)-5-propyl-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

400.07864 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.08592 191.2
[M+Na]+ 423.06786 196.5
[M+NH4]+ 418.11246 196.0
[M+K]+ 439.04180 195.6
[M-H]- 399.07136 194.8
[M+Na-2H]- 421.05331 192.7
[M]+ 400.07809 192.0
[M]- 400.07919 192.0
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.