CID 4055154

303060-69-7

Structural Information

Molecular Formula
C28H22Cl2N2O3
SMILES
COC1=C(C=C(C=C1)C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C(=CC(=C6)Cl)Cl)OC
InChI
InChI=1S/C28H22Cl2N2O3/c1-33-25-10-9-19(12-26(25)34-2)28-32-24(21-13-20(29)14-22(30)27(21)35-28)15-23(31-32)18-8-7-16-5-3-4-6-17(16)11-18/h3-14,24,28H,15H2,1-2H3
InChIKey
WDHSTKRINVGGAT-UHFFFAOYSA-N
Compound name
7,9-dichloro-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

504.10074 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.10802 222.2
[M+Na]+ 527.08996 242.8
[M+NH4]+ 522.13456 231.7
[M+K]+ 543.06390 232.3
[M-H]- 503.09346 231.4
[M+Na-2H]- 525.07541 229.2
[M]+ 504.10019 228.9
[M]- 504.10129 228.9
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.