CID 68688

Diproxadol

Structural Information

Molecular Formula
C12H14ClNO4
SMILES
CC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(CO)O
InChI
InChI=1S/C12H14ClNO4/c1-7-12(17)14(5-9(16)6-15)10-4-8(13)2-3-11(10)18-7/h2-4,7,9,15-16H,5-6H2,1H3
InChIKey
YIAHFLWLLVEPPS-UHFFFAOYSA-N
Compound name
6-chloro-4-(2,3-dihydroxypropyl)-2-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

271.06113 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06841 156.8
[M+Na]+ 294.05035 165.7
[M-H]- 270.05385 158.1
[M+NH4]+ 289.09495 171.6
[M+K]+ 310.02429 162.3
[M+H-H2O]+ 254.05839 151.3
[M+HCOO]- 316.05933 167.5
[M+CH3COO]- 330.07498 193.2
[M+Na-2H]- 292.03580 160.3
[M]+ 271.06058 159.3
[M]- 271.06168 159.3
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