CID 3077709

135420-34-7

Structural Information

Molecular Formula
C23H33NO3
SMILES
CCCCCCCCCCC(=C)C(=O)C1=CC2=C(C=C1)N(C(=O)C(O2)C)C
InChI
InChI=1S/C23H33NO3/c1-5-6-7-8-9-10-11-12-13-17(2)22(25)19-14-15-20-21(16-19)27-18(3)23(26)24(20)4/h14-16,18H,2,5-13H2,1,3-4H3
InChIKey
DXXFQHHXWHVCLV-UHFFFAOYSA-N
Compound name
2,4-dimethyl-7-(2-methylidenedodecanoyl)-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.24603 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.253306 195.4
[M+Na]+ 394.235248 200.0
[M-H]- 370.238754 197.6
[M+NH4]+ 389.279853 206.3
[M+K]+ 410.209188 196.1
[M+H-H2O]+ 354.243290 186.9
[M+HCOO]- 416.244231 209.0
[M+CH3COO]- 430.259881 224.3
[M+Na-2H]- 392.220696 193.1
[M]+ 371.24548142 199.8
[M]- 371.24657858 199.8
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.