CID 6508719
Di-8-anepps
Structural Information
- Molecular Formula
- C36H53N2O3S
- SMILES
- CCCCCCCCN(CCCCCCCC)C1=CC2=C(C=C1)C=C(C=C2)/C=C/C3=CC=[N+](C=C3)CCCS(=O)(=O)O
- InChI
- InChI=1S/C36H52N2O3S/c1-3-5-7-9-11-13-25-38(26-14-12-10-8-6-4-2)36-21-20-34-30-33(18-19-35(34)31-36)17-16-32-22-27-37(28-23-32)24-15-29-42(39,40)41/h16-23,27-28,30-31H,3-15,24-26,29H2,1-2H3/p+1
- InChIKey
- IXFSUSNUALIXLU-UHFFFAOYSA-O
- Compound name
- 3-[4-[(E)-2-[6-(dioctylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 594.38498 | 256.1 |
[M+Na]+ | 616.36692 | 255.5 |
[M-H]- | 592.37042 | 258.8 |
[M+NH4]+ | 611.41152 | 258.0 |
[M+K]+ | 632.34086 | 241.1 |
[M+H-H2O]+ | 576.37496 | 246.3 |
[M+HCOO]- | 638.37590 | 265.1 |
[M+CH3COO]- | 652.39155 | 255.7 |
[M+Na-2H]- | 614.35237 | 255.0 |
[M]+ | 593.37715 | 263.2 |
[M]- | 593.37825 | 263.2 |
Literature stripe
No literature data available for this compound.