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 214.1
[M+Na]+ 491.07296 224.9
[M-H]- 467.07646 226.1
[M+NH4]+ 486.11756 226.4
[M+K]+ 507.04690 212.4
[M+H-H2O]+ 451.08100 209.9
[M+HCOO]- 513.08194 226.2
[M+CH3COO]- 527.09759 224.0
[M+Na-2H]- 489.05841 215.9
[M]+ 468.08319 231.7
[M]- 468.08429 231.7
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.