CID 3584350

332062-84-7

Structural Information

Molecular Formula
C20H13Cl3N2OS
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC=CS4)C5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C20H13Cl3N2OS/c21-11-4-6-18-14(8-11)17-10-16(19-2-1-7-27-19)24-25(17)20(26-18)13-5-3-12(22)9-15(13)23/h1-9,17,20H,10H2
InChIKey
KXQDIKVUBAADQW-UHFFFAOYSA-N
Compound name
9-chloro-5-(2,4-dichlorophenyl)-2-thiophen-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

433.9814 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.98868 200.4
[M+Na]+ 456.97062 213.1
[M-H]- 432.97412 209.0
[M+NH4]+ 452.01522 214.3
[M+K]+ 472.94456 206.4
[M+H-H2O]+ 416.97866 193.7
[M+HCOO]- 478.97960 199.4
[M+CH3COO]- 492.99525 209.9
[M+Na-2H]- 454.95607 196.2
[M]+ 433.98085 206.9
[M]- 433.98195 206.9
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.