CID 3412808

9-chloro-5-(3-chlorophenyl)-2-(2-furyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

Structural Information

Molecular Formula
C20H14Cl2N2O2
SMILES
C1C2C3=C(C=CC(=C3)Cl)OC(N2N=C1C4=CC=CO4)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C20H14Cl2N2O2/c21-13-4-1-3-12(9-13)20-24-17(11-16(23-24)19-5-2-8-25-19)15-10-14(22)6-7-18(15)26-20/h1-10,17,20H,11H2
InChIKey
XZRJSZJWPKTUTQ-UHFFFAOYSA-N
Compound name
9-chloro-5-(3-chlorophenyl)-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

384.04324 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.05052 190.6
[M+Na]+ 407.03246 202.0
[M-H]- 383.03596 200.3
[M+NH4]+ 402.07706 203.7
[M+K]+ 423.00640 196.3
[M+H-H2O]+ 367.04050 182.0
[M+HCOO]- 429.04144 198.0
[M+CH3COO]- 443.05709 201.2
[M+Na-2H]- 405.01791 190.2
[M]+ 384.04269 195.8
[M]- 384.04379 195.8
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.