CID 3131194

303104-47-4

Structural Information

Molecular Formula
C27H22N2O2
SMILES
COC1=CC=CC=C1C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6O2
InChI
InChI=1S/C27H22N2O2/c1-30-25-12-6-5-11-22(25)27-29-24(21-10-4-7-13-26(21)31-27)17-23(28-29)20-15-14-18-8-2-3-9-19(18)16-20/h2-16,24,27H,17H2,1H3
InChIKey
UMBVRXMFNZZUDG-UHFFFAOYSA-N
Compound name
5-(2-methoxyphenyl)-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

406.16812 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.17540 201.1
[M+Na]+ 429.15734 220.1
[M+NH4]+ 424.20194 211.1
[M+K]+ 445.13128 210.7
[M-H]- 405.16084 210.8
[M+Na-2H]- 427.14279 209.7
[M]+ 406.16757 207.0
[M]- 406.16867 207.0
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.