CID 5052879

303059-86-1

Structural Information

Molecular Formula
C23H21BrN2O
SMILES
CC(C)C1N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=C(O1)C=CC(=C5)Br
InChI
InChI=1S/C23H21BrN2O/c1-14(2)23-26-21(19-12-18(24)9-10-22(19)27-23)13-20(25-26)17-8-7-15-5-3-4-6-16(15)11-17/h3-12,14,21,23H,13H2,1-2H3
InChIKey
FUJUJDABVWGXFE-UHFFFAOYSA-N
Compound name
9-bromo-2-naphthalen-2-yl-5-propan-2-yl-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

420.08374 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.09102 200.3
[M+Na]+ 443.07296 211.0
[M-H]- 419.07646 209.6
[M+NH4]+ 438.11756 215.1
[M+K]+ 459.04690 199.2
[M+H-H2O]+ 403.08100 197.6
[M+HCOO]- 465.08194 211.9
[M+CH3COO]- 479.09759 211.0
[M+Na-2H]- 441.05841 202.5
[M]+ 420.08319 218.8
[M]- 420.08429 218.8
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.