CID 13999230
57467-22-8
Structural Information
- Molecular Formula
- C44H80N2O2
- SMILES
- CCCCCCCCCCCCCCCCCCNC(=O)C1=CC(=CC=C1)C(=O)NCCCCCCCCCCCCCCCCCC
- InChI
- InChI=1S/C44H80N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-45-43(47)41-36-35-37-42(40-41)44(48)46-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-37,40H,3-34,38-39H2,1-2H3,(H,45,47)(H,46,48)
- InChIKey
- LIOYMLBYICWSGH-UHFFFAOYSA-N
- Compound name
- 1-N,3-N-dioctadecylbenzene-1,3-dicarboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 669.62928 | 279.1 |
[M+Na]+ | 691.61122 | 288.6 |
[M-H]- | 667.61472 | 265.1 |
[M+NH4]+ | 686.65582 | 277.9 |
[M+K]+ | 707.58516 | 287.5 |
[M+H-H2O]+ | 651.61926 | 277.9 |
[M+HCOO]- | 713.62020 | 283.5 |
[M+CH3COO]- | 727.63585 | 287.1 |
[M+Na-2H]- | 689.59667 | 261.2 |
[M]+ | 668.62145 | 274.4 |
[M]- | 668.62255 | 274.4 |
Literature stripe
No literature data available for this compound.