CID 199485
Pyrocyclonium
Structural Information
- Molecular Formula
- C36H52N2O4
- SMILES
- CC[N+]1(CCCC1)CCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCC[N+]4(CCCC4)CC)C5=CC=CC=C5
- InChI
- InChI=1S/C36H52N2O4/c1-3-37(21-11-12-22-37)25-15-27-41-35(39)33-31(29-17-7-5-8-18-29)34(32(33)30-19-9-6-10-20-30)36(40)42-28-16-26-38(4-2)23-13-14-24-38/h5-10,17-20,31-34H,3-4,11-16,21-28H2,1-2H3/q+2
- InChIKey
- CVADZTJGKQPGNT-UHFFFAOYSA-N
- Compound name
- bis[3-(1-ethylpyrrolidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 577.39998 | 248.8 |
[M+Na]+ | 599.38192 | 244.7 |
[M-H]- | 575.38542 | 258.4 |
[M+NH4]+ | 594.42652 | 248.8 |
[M+K]+ | 615.35586 | 231.4 |
[M+H-H2O]+ | 559.38996 | 236.9 |
[M+HCOO]- | 621.39090 | 257.1 |
[M+CH3COO]- | 635.40655 | 239.8 |
[M+Na-2H]- | 597.36737 | 242.5 |
[M]+ | 576.39215 | 252.6 |
[M]- | 576.39325 | 252.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.