CID 3430443

7,9-dichloro-2-(4-chlorophenyl)-1'-propyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]

Structural Information

Molecular Formula
C23H24Cl3N3O
SMILES
CCCN1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)Cl)C5=C(O2)C(=CC(=C5)Cl)Cl
InChI
InChI=1S/C23H24Cl3N3O/c1-2-9-28-10-7-23(8-11-28)29-21(18-12-17(25)13-19(26)22(18)30-23)14-20(27-29)15-3-5-16(24)6-4-15/h3-6,12-13,21H,2,7-11,14H2,1H3
InChIKey
JXSZPRFMCVMKJY-UHFFFAOYSA-N
Compound name
7,9-dichloro-2-(4-chlorophenyl)-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.09848 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.10576 210.0
[M+Na]+ 486.08770 219.3
[M-H]- 462.09120 213.7
[M+NH4]+ 481.13230 220.4
[M+K]+ 502.06164 211.4
[M+H-H2O]+ 446.09574 198.0
[M+HCOO]- 508.09668 205.4
[M+CH3COO]- 522.11233 216.2
[M+Na-2H]- 484.07315 207.3
[M]+ 463.09793 210.7
[M]- 463.09903 210.7
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.