CID 44429748
3-[(6z)-6-benzyloxyimino-7-[(2e,6e,10e)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]-1h-purin-7-ium-9-yl]propanenitrile
Structural Information
- Molecular Formula
- C35H47N6O
- SMILES
- CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CN1C=[N+](C2=NC=NC(=C21)NOCC3=CC=CC=C3)CCC#N)/C)/C)/C)C
- InChI
- InChI=1S/C35H47N6O/c1-28(2)13-9-14-29(3)15-10-16-30(4)17-11-18-31(5)21-24-40-27-41(23-12-22-36)35-33(40)34(37-26-38-35)39-42-25-32-19-7-6-8-20-32/h6-8,13,15,17,19-21,26-27H,9-12,14,16,18,23-25H2,1-5H3,(H,37,38,39)/q+1/b29-15+,30-17+,31-21+
- InChIKey
- XIZOQBFIVXNCCC-VUYPHWQYSA-N
- Compound name
- 3-[6-(phenylmethoxyamino)-7-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]purin-9-ium-9-yl]propanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 568.38844 | 249.5 |
[M+Na]+ | 590.37038 | 251.8 |
[M-H]- | 566.37388 | 247.5 |
[M+NH4]+ | 585.41498 | 248.9 |
[M+K]+ | 606.34432 | 236.3 |
[M+H-H2O]+ | 550.37842 | 231.5 |
[M+HCOO]- | 612.37936 | 257.2 |
[M+CH3COO]- | 626.39501 | 257.2 |
[M+Na-2H]- | 588.35583 | 244.3 |
[M]+ | 567.38061 | 246.6 |
[M]- | 567.38171 | 246.6 |
Literature stripe
Patent stripe
No patent data available for this compound.