CID 3047258
6'-n-tert-butylsisomicin
Structural Information
- Molecular Formula
- C23H45N5O7
- SMILES
- CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C=C(CO3)CNC(C)(C)C)N)N)N)O
- InChI
- InChI=1S/C23H45N5O7/c1-22(2,3)28-8-11-6-14(26)20(32-9-11)34-17-12(24)7-13(25)18(15(17)29)35-21-16(30)19(27-5)23(4,31)10-33-21/h6,12-21,27-31H,7-10,24-26H2,1-5H3
- InChIKey
- VENUMUIFOVRGNW-UHFFFAOYSA-N
- Compound name
- 2-[4,6-diamino-3-[[3-amino-5-[(tert-butylamino)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]+ | 504.33918 | 225.7 |
[M+Na]+ | 526.32112 | 225.0 |
[M-H]- | 502.32462 | 229.7 |
[M+NH4]+ | 521.36572 | 228.0 |
[M+K]+ | 542.29506 | 226.3 |
[M+H-H2O]+ | 486.32916 | 217.6 |
[M+HCOO]- | 548.33010 | 232.8 |
[M+CH3COO]- | 562.34575 | 256.5 |
[M+Na-2H]- | 524.30657 | 255.3 |
[M]+ | 503.33135 | 234.7 |
[M]- | 503.33245 | 234.7 |
Literature stripe
No literature data available for this compound.