CID 3586228

303059-83-8

Structural Information

Molecular Formula
C23H21BrN2O
SMILES
CCCC1N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=C(O1)C=CC(=C5)Br
InChI
InChI=1S/C23H21BrN2O/c1-2-5-23-26-21(19-13-18(24)10-11-22(19)27-23)14-20(25-26)17-9-8-15-6-3-4-7-16(15)12-17/h3-4,6-13,21,23H,2,5,14H2,1H3
InChIKey
NHNZGYINCDQNTE-UHFFFAOYSA-N
Compound name
9-bromo-2-naphthalen-2-yl-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

420.08374 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.09102 200.0
[M+Na]+ 443.07296 211.0
[M-H]- 419.07646 209.2
[M+NH4]+ 438.11756 214.8
[M+K]+ 459.04690 198.7
[M+H-H2O]+ 403.08100 197.0
[M+HCOO]- 465.08194 212.6
[M+CH3COO]- 479.09759 210.8
[M+Na-2H]- 441.05841 203.2
[M]+ 420.08319 219.0
[M]- 420.08429 219.0
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.