CID 3077709

Brn 4331779

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]+ 372.25331 195.4
[M+Na]+ 394.23525 200.0
[M-H]- 370.23875 197.6
[M+NH4]+ 389.27985 206.3
[M+K]+ 410.20919 196.1
[M+H-H2O]+ 354.24329 186.9
[M+HCOO]- 416.24423 209.0
[M+CH3COO]- 430.25988 224.3
[M+Na-2H]- 392.22070 193.1
[M]+ 371.24548 199.8
[M]- 371.24658 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.