CID 4356309

587000-21-3

Structural Information

Molecular Formula
C20H13Cl3N2O2
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC=CO4)C5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C20H13Cl3N2O2/c21-11-4-6-18-14(8-11)17-10-16(19-2-1-7-26-19)24-25(17)20(27-18)13-5-3-12(22)9-15(13)23/h1-9,17,20H,10H2
InChIKey
VYDIEPHOVHAUKW-UHFFFAOYSA-N
Compound name
9-chloro-5-(2,4-dichlorophenyl)-2-(furan-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

418.00427 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.01155 198.7
[M+Na]+ 440.99349 210.6
[M-H]- 416.99699 207.0
[M+NH4]+ 436.03809 210.6
[M+K]+ 456.96743 204.7
[M+H-H2O]+ 401.00153 190.1
[M+HCOO]- 463.00247 200.5
[M+CH3COO]- 477.01812 208.1
[M+Na-2H]- 438.97894 196.3
[M]+ 418.00372 204.4
[M]- 418.00482 204.4
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.