CID 4993220

303060-05-1

Structural Information

Molecular Formula
C28H24N2O3
SMILES
COC1=C(C=C(C=C1)C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6O2)OC
InChI
InChI=1S/C28H24N2O3/c1-31-26-14-13-21(16-27(26)32-2)28-30-24(22-9-5-6-10-25(22)33-28)17-23(29-30)20-12-11-18-7-3-4-8-19(18)15-20/h3-16,24,28H,17H2,1-2H3
InChIKey
GTXCIKPYPKUARR-UHFFFAOYSA-N
Compound name
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

436.17868 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.18596 208.0
[M+Na]+ 459.16790 216.0
[M-H]- 435.17140 218.0
[M+NH4]+ 454.21250 217.2
[M+K]+ 475.14184 209.9
[M+H-H2O]+ 419.17594 195.3
[M+HCOO]- 481.17688 221.9
[M+CH3COO]- 495.19253 216.3
[M+Na-2H]- 457.15335 209.6
[M]+ 436.17813 210.3
[M]- 436.17923 210.3
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.