CID 5065082

303060-27-7

Structural Information

Molecular Formula
C28H23ClN2O3
SMILES
COC1=C(C=C(C=C1)C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C=CC(=C6)Cl)OC
InChI
InChI=1S/C28H23ClN2O3/c1-32-26-11-9-20(14-27(26)33-2)28-31-24(22-15-21(29)10-12-25(22)34-28)16-23(30-31)19-8-7-17-5-3-4-6-18(17)13-19/h3-15,24,28H,16H2,1-2H3
InChIKey
ZQQPYJRQGNQWRL-UHFFFAOYSA-N
Compound name
9-chloro-5-(3,4-dimethoxyphenyl)-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

470.1397 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.14698 216.2
[M+Na]+ 493.12892 236.0
[M+NH4]+ 488.17352 225.7
[M+K]+ 509.10286 226.3
[M-H]- 469.13242 225.6
[M+Na-2H]- 491.11437 223.6
[M]+ 470.13915 222.5
[M]- 470.14025 222.5
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.