CID 3077712

135420-37-0

Structural Information

Molecular Formula
C20H27NO3
SMILES
CCCCCCN1C2=C(C=C(C=C2)C(=O)C(=C)CC)OC(C1=O)C
InChI
InChI=1S/C20H27NO3/c1-5-7-8-9-12-21-17-11-10-16(19(22)14(3)6-2)13-18(17)24-15(4)20(21)23/h10-11,13,15H,3,5-9,12H2,1-2,4H3
InChIKey
FORIHNKYIUHMHR-UHFFFAOYSA-N
Compound name
4-hexyl-2-methyl-7-(2-methylidenebutanoyl)-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.206376 181.5
[M+Na]+ 352.188318 187.4
[M-H]- 328.191824 184.3
[M+NH4]+ 347.232923 194.1
[M+K]+ 368.162258 184.2
[M+H-H2O]+ 312.196360 173.6
[M+HCOO]- 374.197301 196.2
[M+CH3COO]- 388.212951 215.5
[M+Na-2H]- 350.173766 180.8
[M]+ 329.19855142 184.8
[M]- 329.19964858 184.8
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.