CID 4341828

303059-93-0

Structural Information

Molecular Formula
C25H17Cl2N3O
SMILES
C1C2C3=C(C(=CC(=C3)Cl)Cl)OC(N2N=C1C4=CC5=CC=CC=C5C=C4)C6=CC=NC=C6
InChI
InChI=1S/C25H17Cl2N3O/c26-19-12-20-23-14-22(18-6-5-15-3-1-2-4-17(15)11-18)29-30(23)25(16-7-9-28-10-8-16)31-24(20)21(27)13-19/h1-13,23,25H,14H2
InChIKey
GDURNPXMLFLNTC-UHFFFAOYSA-N
Compound name
7,9-dichloro-2-naphthalen-2-yl-5-pyridin-4-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

445.07486 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.08214 206.8
[M+Na]+ 468.06408 217.7
[M-H]- 444.06758 214.3
[M+NH4]+ 463.10868 215.9
[M+K]+ 484.03802 208.9
[M+H-H2O]+ 428.07212 193.8
[M+HCOO]- 490.07306 210.4
[M+CH3COO]- 504.08871 214.6
[M+Na-2H]- 466.04953 207.9
[M]+ 445.07431 209.9
[M]- 445.07541 209.9
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.