CID 5052883

303059-91-8

Structural Information

Molecular Formula
C26H20BrN3O
SMILES
CC1(N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=C(O1)C=CC(=C5)Br)C6=CC=NC=C6
InChI
InChI=1S/C26H20BrN3O/c1-26(20-10-12-28-13-11-20)30-24(22-15-21(27)8-9-25(22)31-26)16-23(29-30)19-7-6-17-4-2-3-5-18(17)14-19/h2-15,24H,16H2,1H3
InChIKey
DZKBQHXPOBVWSY-UHFFFAOYSA-N
Compound name
9-bromo-5-methyl-2-naphthalen-2-yl-5-pyridin-4-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.07898 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.08626 211.0
[M+Na]+ 492.06820 222.5
[M-H]- 468.07170 221.9
[M+NH4]+ 487.11280 223.7
[M+K]+ 508.04214 210.1
[M+H-H2O]+ 452.07624 205.8
[M+HCOO]- 514.07718 222.4
[M+CH3COO]- 528.09283 220.9
[M+Na-2H]- 490.05365 215.0
[M]+ 469.07843 228.9
[M]- 469.07953 228.9
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.