CID 3308652

303060-20-0

Structural Information

Molecular Formula
C27H21BrN2O
SMILES
CC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C=CC(=C6)Br
InChI
InChI=1S/C27H21BrN2O/c1-17-6-8-19(9-7-17)27-30-25(23-15-22(28)12-13-26(23)31-27)16-24(29-30)21-11-10-18-4-2-3-5-20(18)14-21/h2-15,25,27H,16H2,1H3
InChIKey
LCDVGRZTSHBTNO-UHFFFAOYSA-N
Compound name
9-bromo-5-(4-methylphenyl)-2-naphthalen-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

468.08374 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.09102 209.0
[M+Na]+ 491.07296 218.0
[M+NH4]+ 486.11756 215.3
[M+K]+ 507.04690 214.4
[M-H]- 467.07646 216.2
[M+Na-2H]- 489.05841 213.3
[M]+ 468.08319 211.7
[M]- 468.08429 211.7
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.