CID 53426332
102586-19-6
Structural Information
- Molecular Formula
- C24H35N3O
- SMILES
- CC[N+](C)(CC)CCCCCCC1=C2C=CC3=[N+](C=CC(=O)C3=C2NC=C1)C
- InChI
- InChI=1S/C24H34N3O/c1-5-27(4,6-2)18-10-8-7-9-11-19-14-16-25-24-20(19)12-13-21-23(24)22(28)15-17-26(21)3/h12-17H,5-11,18H2,1-4H3/q+1/p+1
- InChIKey
- UIRIPBQFONCDJA-UHFFFAOYSA-O
- Compound name
- diethyl-methyl-[6-(7-methyl-10-oxo-1H-1,7-phenanthrolin-7-ium-4-yl)hexyl]azanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 382.28528 | 200.5 |
[M+Na]+ | 404.26722 | 207.4 |
[M-H]- | 380.27072 | 203.1 |
[M+NH4]+ | 399.31182 | 211.4 |
[M+K]+ | 420.24116 | 189.4 |
[M+H-H2O]+ | 364.27526 | 195.9 |
[M+HCOO]- | 426.27620 | 216.5 |
[M+CH3COO]- | 440.29185 | 214.4 |
[M+Na-2H]- | 402.25267 | 210.8 |
[M]+ | 381.27745 | 203.2 |
[M]- | 381.27855 | 203.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.