CID 9811445
Ucl-1848 trifluoroacetate salt
Structural Information
- Molecular Formula
- C28H34N4
- SMILES
- C1CCNC2=CC=[N+](CCCCC[N+]3=CC=C(C4=CC=CC=C43)NCC1)C5=CC=CC=C25
- InChI
- InChI=1S/C28H32N4/c1-7-17-29-25-15-21-31(27-13-5-3-11-23(25)27)19-9-2-10-20-32-22-16-26(30-18-8-1)24-12-4-6-14-28(24)32/h3-6,11-16,21-22H,1-2,7-10,17-20H2/p+2
- InChIKey
- IOXVWOJJNCBJBX-UHFFFAOYSA-P
- Compound name
- 15,21-diaza-1,7-diazoniapentacyclo[20.6.2.27,14.08,13.023,28]dotriaconta-1(29),7(32),8,10,12,14(31),22(30),23,25,27-decaene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 427.28563 | 196.3 |
[M+Na]+ | 449.26757 | 197.4 |
[M-H]- | 425.27107 | 189.5 |
[M+NH4]+ | 444.31217 | 200.1 |
[M+K]+ | 465.24151 | 179.3 |
[M+H-H2O]+ | 409.27561 | 191.6 |
[M+HCOO]- | 471.27655 | 196.4 |
[M+CH3COO]- | 485.29220 | 197.7 |
[M+Na-2H]- | 447.25302 | 207.7 |
[M]+ | 426.27780 | 183.9 |
[M]- | 426.27890 | 183.9 |