CID 4244527

303059-77-0

Structural Information

Molecular Formula
C26H25BrN2O
SMILES
C1CCC(CC1)C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C=CC(=C6)Br
InChI
InChI=1S/C26H25BrN2O/c27-21-12-13-25-22(15-21)24-16-23(20-11-10-17-6-4-5-9-19(17)14-20)28-29(24)26(30-25)18-7-2-1-3-8-18/h4-6,9-15,18,24,26H,1-3,7-8,16H2
InChIKey
PHRGDDJKJIVPLR-UHFFFAOYSA-N
Compound name
9-bromo-5-cyclohexyl-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

460.11502 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.12230 207.9
[M+Na]+ 483.10424 214.3
[M+NH4]+ 478.14884 214.1
[M+K]+ 499.07818 211.4
[M-H]- 459.10774 214.5
[M+Na-2H]- 481.08969 210.3
[M]+ 460.11447 209.8
[M]- 460.11557 209.8
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.