CID 3047259
6'-n-(2-phenylethyl)sisomicin
Structural Information
- Molecular Formula
- C27H45N5O7
- SMILES
- CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C=C(CO3)CNCCC4=CC=CC=C4)N)N)N)O
- InChI
- InChI=1S/C27H45N5O7/c1-27(35)14-37-26(21(34)24(27)31-2)39-23-18(29)11-17(28)22(20(23)33)38-25-19(30)10-16(13-36-25)12-32-9-8-15-6-4-3-5-7-15/h3-7,10,17-26,31-35H,8-9,11-14,28-30H2,1-2H3
- InChIKey
- CLSZVMOTQABOOV-UHFFFAOYSA-N
- Compound name
- 2-[4,6-diamino-3-[[3-amino-5-[(2-phenylethylamino)methyl]-3,6-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 552.33918 | 235.8 |
[M+Na]+ | 574.32112 | 234.1 |
[M-H]- | 550.32462 | 242.4 |
[M+NH4]+ | 569.36572 | 235.3 |
[M+K]+ | 590.29506 | 234.0 |
[M+H-H2O]+ | 534.32916 | 224.8 |
[M+HCOO]- | 596.33010 | 244.3 |
[M+CH3COO]- | 610.34575 | 264.3 |
[M+Na-2H]- | 572.30657 | 267.5 |
[M]+ | 551.33135 | 251.0 |
[M]- | 551.33245 | 251.0 |
Literature stripe
No literature data available for this compound.