CID 3070089

85732-29-2

Structural Information

Molecular Formula
C20H20Cl2N2O3
SMILES
C1CN(CCC12C3=C(C=CC(=C3)Cl)NC(=O)O2)CC(C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C20H20Cl2N2O3/c21-14-3-1-13(2-4-14)18(25)12-24-9-7-20(8-10-24)16-11-15(22)5-6-17(16)23-19(26)27-20/h1-6,11,18,25H,7-10,12H2,(H,23,26)
InChIKey
JJXDNNMLJYAARO-UHFFFAOYSA-N
Compound name
6-chloro-1'-[2-(4-chlorophenyl)-2-hydroxyethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

406.08508 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.09236 190.8
[M+Na]+ 429.07430 197.7
[M-H]- 405.07780 194.0
[M+NH4]+ 424.11890 200.4
[M+K]+ 445.04824 191.1
[M+H-H2O]+ 389.08234 181.5
[M+HCOO]- 451.08328 190.6
[M+CH3COO]- 465.09893 197.8
[M+Na-2H]- 427.05975 192.4
[M]+ 406.08453 188.3
[M]- 406.08563 188.3
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

patents stripe