CID 54740619

Spidoxamat

Structural Information

Molecular Formula
C19H22ClNO4
SMILES
CC1=CC(=CC(=C1C2=C(C3(CCC4(CC3)OCCO4)NC2=O)O)C)Cl
InChI
InChI=1S/C19H22ClNO4/c1-11-9-13(20)10-12(2)14(11)15-16(22)18(21-17(15)23)3-5-19(6-4-18)24-7-8-25-19/h9-10,22H,3-8H2,1-2H3,(H,21,23)
InChIKey
CMURKFSRGAWINZ-UHFFFAOYSA-N
Compound name
2-(4-chloro-2,6-dimethylphenyl)-1-hydroxy-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2069
Patents

363.12375 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.13103 184.5
[M+Na]+ 386.11297 193.3
[M-H]- 362.11647 193.2
[M+NH4]+ 381.15757 201.0
[M+K]+ 402.08691 188.8
[M+H-H2O]+ 346.12101 179.2
[M+HCOO]- 408.12195 192.9
[M+CH3COO]- 422.13760 194.7
[M+Na-2H]- 384.09842 183.2
[M]+ 363.12320 182.9
[M]- 363.12430 182.9
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

patents stripe