CID 9570708
Gc 49
Structural Information
- Molecular Formula
- C21H46N4O2
- SMILES
- CC[N+](C/C=N/C(O)CCCC(O)/N=C/C[N+](CC)(CC)CC)(CC)CC
- InChI
- InChI=1S/C21H46N4O2/c1-7-24(8-2,9-3)18-16-22-20(26)14-13-15-21(27)23-17-19-25(10-4,11-5)12-6/h16-17,20-21,26-27H,7-15,18-19H2,1-6H3/q+2/b22-16+,23-17+
- InChIKey
- JWCPNWVFKXCSNR-LKNRODPVSA-N
- Compound name
- [(2E)-2-[1,5-dihydroxy-5-[(E)-2-(triethylazaniumyl)ethylideneamino]pentyl]iminoethyl]-triethylazanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 387.36938 | 246.6 |
[M+Na]+ | 409.35132 | 258.0 |
[M-H]- | 385.35482 | 249.5 |
[M+NH4]+ | 404.39592 | 249.2 |
[M+K]+ | 425.32526 | 248.6 |
[M+H-H2O]+ | 369.35936 | 233.7 |
[M+HCOO]- | 431.36030 | 260.9 |
[M+CH3COO]- | 445.37595 | 225.9 |
[M+Na-2H]- | 407.33677 | 235.2 |
[M]+ | 386.36155 | 241.2 |
[M]- | 386.36265 | 241.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.