CID 10796210
Nostofungicidine
Structural Information
- Molecular Formula
- C48H76N10O18
- SMILES
- CCCCCCCCCCCCC(CCC1CC(=O)NCC(=O)NC(C(=O)N2CC(CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C(=O)N)O)C(C(=O)N)O)C(C3=CC=C(C=C3)O)O)CO)O)CO)O
- InChI
- InChI=1S/C48H76N10O18/c1-2-3-4-5-6-7-8-9-10-11-12-27(61)18-15-26-19-33(64)51-21-34(65)53-31(24-60)48(76)58-22-29(63)20-32(58)44(72)54-30(23-59)43(71)55-35(38(66)25-13-16-28(62)17-14-25)46(74)57-37(40(68)42(50)70)47(75)56-36(45(73)52-26)39(67)41(49)69/h13-14,16-17,26-27,29-32,35-40,59-63,66-68H,2-12,15,18-24H2,1H3,(H2,49,69)(H2,50,70)(H,51,64)(H,52,73)(H,53,65)(H,54,72)(H,55,71)(H,56,75)(H,57,74)
- InChIKey
- IDDRLYONDGIWOT-UHFFFAOYSA-N
- Compound name
- 2-[16-(2-amino-1-hydroxy-2-oxoethyl)-27-hydroxy-19-[hydroxy-(4-hydroxyphenyl)methyl]-3,22-bis(hydroxymethyl)-10-(3-hydroxypentadecyl)-2,5,8,12,15,18,21,24-octaoxo-1,4,7,11,14,17,20,23-octazabicyclo[23.3.0]octacosan-13-yl]-2-hydroxyacetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1081.5412 | 296.3 |
[M+Na]+ | 1103.5231 | 292.9 |
[M-H]- | 1079.5266 | 284.6 |
[M+NH4]+ | 1098.5677 | 290.3 |
[M+K]+ | 1119.4971 | 278.0 |
[M+H-H2O]+ | 1063.5312 | 263.8 |
[M+HCOO]- | 1125.5321 | 290.4 |
[M+CH3COO]- | 1139.5478 | 292.7 |
[M+Na-2H]- | 1101.5086 | 299.2 |
[M]+ | 1080.5334 | 292.7 |
[M]- | 1080.5344 | 292.7 |