CID 5281993
Dihydromethanophenazine
Structural Information
- Molecular Formula
- C37H52N2O
- SMILES
- CC(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOC1=CC2=C(C=C1)NC3=CC=CC=C3N2
- InChI
- InChI=1S/C37H52N2O/c1-28(2)13-9-14-29(3)15-10-16-30(4)17-11-18-31(5)19-12-20-32(6)25-26-40-33-23-24-36-37(27-33)39-35-22-8-7-21-34(35)38-36/h7-8,13,15,17,19,21-24,27,32,38-39H,9-12,14,16,18,20,25-26H2,1-6H3/b29-15+,30-17+,31-19+
- InChIKey
- LNCNNIYZOUNGMU-QAAQOENVSA-N
- Compound name
- 2-[(6E,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenoxy]-5,10-dihydrophenazine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 541.41524 | 247.6 |
[M+Na]+ | 563.39718 | 244.9 |
[M-H]- | 539.40068 | 243.0 |
[M+NH4]+ | 558.44178 | 249.9 |
[M+K]+ | 579.37112 | 234.3 |
[M+H-H2O]+ | 523.40522 | 236.6 |
[M+HCOO]- | 585.40616 | 250.6 |
[M+CH3COO]- | 599.42181 | 252.6 |
[M+Na-2H]- | 561.38263 | 238.4 |
[M]+ | 540.40741 | 246.1 |
[M]- | 540.40851 | 246.1 |