CID 3121740

332060-47-6

Structural Information

Molecular Formula
C20H18Cl2N2O
SMILES
C1CCC2(C1)N3C(CC(=N3)C4=CC=C(C=C4)Cl)C5=C(O2)C=CC(=C5)Cl
InChI
InChI=1S/C20H18Cl2N2O/c21-14-5-3-13(4-6-14)17-12-18-16-11-15(22)7-8-19(16)25-20(24(18)23-17)9-1-2-10-20/h3-8,11,18H,1-2,9-10,12H2
InChIKey
JIYYHRHLIIVOHY-UHFFFAOYSA-N
Compound name
9-chloro-2-(4-chlorophenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.07962 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.08690 189.3
[M+Na]+ 395.06884 199.6
[M-H]- 371.07234 196.7
[M+NH4]+ 390.11344 206.3
[M+K]+ 411.04278 192.1
[M+H-H2O]+ 355.07688 179.9
[M+HCOO]- 417.07782 194.9
[M+CH3COO]- 431.09347 199.0
[M+Na-2H]- 393.05429 188.6
[M]+ 372.07907 190.0
[M]- 372.08017 190.0
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.