CID 288122
Muramine
Structural Information
- Molecular Formula
- C22H27NO5
- SMILES
- CN1CCC2=CC(=C(C=C2C(=O)CC3=C(C1)C(=C(C=C3)OC)OC)OC)OC
- InChI
- InChI=1S/C22H27NO5/c1-23-9-8-15-11-20(26-3)21(27-4)12-16(15)18(24)10-14-6-7-19(25-2)22(28-5)17(14)13-23/h6-7,11-12H,8-10,13H2,1-5H3
- InChIKey
- HUIJAZQRYSCNED-UHFFFAOYSA-N
- Compound name
- 3,4,10,11-tetramethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 386.19621 | 190.1 |
[M+Na]+ | 408.17815 | 198.6 |
[M-H]- | 384.18165 | 191.8 |
[M+NH4]+ | 403.22275 | 200.6 |
[M+K]+ | 424.15209 | 196.4 |
[M+H-H2O]+ | 368.18619 | 184.5 |
[M+HCOO]- | 430.18713 | 206.0 |
[M+CH3COO]- | 444.20278 | 220.7 |
[M+Na-2H]- | 406.16360 | 190.8 |
[M]+ | 385.18838 | 194.0 |
[M]- | 385.18948 | 194.0 |