CID 3040334

Brn 1222762

Structural Information

Molecular Formula
C15H20ClNO4
SMILES
CCCCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(CO)O
InChI
InChI=1S/C15H20ClNO4/c1-2-3-4-14-15(20)17(8-11(19)9-18)12-7-10(16)5-6-13(12)21-14/h5-7,11,14,18-19H,2-4,8-9H2,1H3
InChIKey
WHVDYOWPSUSQHH-UHFFFAOYSA-N
Compound name
2-butyl-6-chloro-4-(2,3-dihydroxypropyl)-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

313.1081 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.11538 170.5
[M+Na]+ 336.09732 182.6
[M+NH4]+ 331.14192 176.9
[M+K]+ 352.07126 176.8
[M-H]- 312.10082 171.8
[M+Na-2H]- 334.08277 172.2
[M]+ 313.10755 172.7
[M]- 313.10865 172.7
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

patents stripe