CID 3077703

Brn 4329129

Structural Information

Molecular Formula
C22H33NO3
SMILES
CCCCCCCCCCCC(=O)C1=CC2=C(C=C1)N(C(=O)C(O2)C)C
InChI
InChI=1S/C22H33NO3/c1-4-5-6-7-8-9-10-11-12-13-20(24)18-14-15-19-21(16-18)26-17(2)22(25)23(19)3/h14-17H,4-13H2,1-3H3
InChIKey
CXLNHIZTRHHDBA-UHFFFAOYSA-N
Compound name
7-dodecanoyl-2,4-dimethyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.24603 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.25331 192.6
[M+Na]+ 382.23525 197.6
[M-H]- 358.23875 194.9
[M+NH4]+ 377.27985 204.2
[M+K]+ 398.20919 194.0
[M+H-H2O]+ 342.24329 184.0
[M+HCOO]- 404.24423 207.4
[M+CH3COO]- 418.25988 221.2
[M+Na-2H]- 380.22070 191.9
[M]+ 359.24548 197.9
[M]- 359.24658 197.9
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.