CID 168010353

Nairaiamide b

Structural Information

Molecular Formula
C43H73N7O8
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N1)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)OC(C)(C)C=C
InChI
InChI=1S/C43H73N7O8/c1-13-24(6)31-38(53)46-33(26(8)15-3)41(56)49-22-18-21-30(49)37(52)45-32(25(7)14-2)39(54)48-35(28(10)58-43(11,12)17-5)40(55)47-34(27(9)16-4)42(57)50-23-19-20-29(50)36(51)44-31/h17,24-35H,5,13-16,18-23H2,1-4,6-12H3,(H,44,51)(H,45,52)(H,46,53)(H,47,55)(H,48,54)/t24-,25-,26-,27-,28+,29-,30-,31-,32-,33-,34-,35-/m0/s1
InChIKey
RIMDKZLFKQEDBI-GUWSJQKESA-N
Compound name
(3S,6S,9S,15S,18S,21S,24S)-3,6,15,21-tetrakis[(2S)-butan-2-yl]-18-[(1R)-1-(2-methylbut-3-en-2-yloxy)ethyl]-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,20,23-heptone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

815.55206 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 816.55934 287.7
[M+Na]+ 838.54128 290.0
[M-H]- 814.54478 277.3
[M+NH4]+ 833.58588 284.1
[M+K]+ 854.51522 270.8
[M+H-H2O]+ 798.54932 257.7
[M+HCOO]- 860.55026 284.7
[M+CH3COO]- 874.56591 291.3
[M+Na-2H]- 836.52673 282.4
[M]+ 815.55151 291.1
[M]- 815.55261 291.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.