CID 477145

4-tert-butyl-6-chloro-4-propyl-1h-3,1-benzoxazin-2-one

Structural Information

Molecular Formula
C15H20ClNO2
SMILES
CCCC1(C2=C(C=CC(=C2)Cl)NC(=O)O1)C(C)(C)C
InChI
InChI=1S/C15H20ClNO2/c1-5-8-15(14(2,3)4)11-9-10(16)6-7-12(11)17-13(18)19-15/h6-7,9H,5,8H2,1-4H3,(H,17,18)
InChIKey
ZOVNAEJOZMNXDU-UHFFFAOYSA-N
Compound name
4-tert-butyl-6-chloro-4-propyl-1H-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11826 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12554 164.3
[M+Na]+ 304.10748 173.5
[M-H]- 280.11098 166.8
[M+NH4]+ 299.15208 181.7
[M+K]+ 320.08142 169.3
[M+H-H2O]+ 264.11552 159.2
[M+HCOO]- 326.11646 174.6
[M+CH3COO]- 340.13211 197.3
[M+Na-2H]- 302.09293 170.4
[M]+ 281.11771 166.7
[M]- 281.11881 166.7
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

No patent data available for this compound.