CID 34445

Meseclazone

Structural Information

Molecular Formula
C11H10ClNO3
SMILES
CC1CC2N(O1)C(=O)C3=C(O2)C=CC(=C3)Cl
InChI
InChI=1S/C11H10ClNO3/c1-6-4-10-13(16-6)11(14)8-5-7(12)2-3-9(8)15-10/h2-3,5-6,10H,4H2,1H3
InChIKey
OJGJQQNLRVNIKE-UHFFFAOYSA-N
Compound name
7-chloro-2-methyl-3,3a-dihydro-2H-[1,2]oxazolo[3,2-b][1,3]benzoxazin-9-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

3928
Patents

239.03493 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04221 148.8
[M+Na]+ 262.02415 159.8
[M-H]- 238.02765 154.3
[M+NH4]+ 257.06875 167.7
[M+K]+ 277.99809 157.6
[M+H-H2O]+ 222.03219 143.6
[M+HCOO]- 284.03313 161.6
[M+CH3COO]- 298.04878 162.2
[M+Na-2H]- 260.00960 154.3
[M]+ 239.03438 152.2
[M]- 239.03548 152.2
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.