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
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 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.