CID 3317864

303060-26-6

Structural Information

Molecular Formula
C27H21ClN2O2
SMILES
COC1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C=CC(=C6)Cl
InChI
InChI=1S/C27H21ClN2O2/c1-31-22-11-8-18(9-12-22)27-30-25(23-15-21(28)10-13-26(23)32-27)16-24(29-30)20-7-6-17-4-2-3-5-19(17)14-20/h2-15,25,27H,16H2,1H3
InChIKey
SSHVRSKIJMVKPD-UHFFFAOYSA-N
Compound name
9-chloro-5-(4-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

440.12915 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.13643 208.3
[M+Na]+ 463.11837 228.6
[M+NH4]+ 458.16297 218.6
[M+K]+ 479.09231 218.3
[M-H]- 439.12187 218.1
[M+Na-2H]- 461.10382 216.7
[M]+ 440.12860 214.8
[M]- 440.12970 214.8
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.