CID 139589742

Kohamamide c

Structural Information

Molecular Formula
C41H71N5O9
SMILES
CCCCC[C@H]1C(C(=O)N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)C)CC(C)C)[C@@H](C)CC)C(C)C)C)C(C)C)(C)C
InChI
InChI=1S/C41H71N5O9/c1-14-16-17-20-30-41(11,12)40(53)44-31(24(5)6)36(49)45(13)32(25(7)8)39(52)55-33(26(9)15-2)37(50)46-21-18-19-29(46)35(48)43-28(22-23(3)4)34(47)42-27(10)38(51)54-30/h23-33H,14-22H2,1-13H3,(H,42,47)(H,43,48)(H,44,53)/t26-,27-,28-,29-,30-,31-,32-,33-/m0/s1
InChIKey
RWDZWKKRSSTUCK-DKTXOJPGSA-N
Compound name
(3S,6S,9S,13S,16S,19S,22S)-3-[(2S)-butan-2-yl]-7,12,12,16-tetramethyl-19-(2-methylpropyl)-13-pentyl-6,9-di(propan-2-yl)-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

777.5252 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 778.53248 272.6
[M+Na]+ 800.51442 275.0
[M-H]- 776.51792 264.5
[M+NH4]+ 795.55902 270.1
[M+K]+ 816.48836 253.2
[M+H-H2O]+ 760.52246 248.8
[M+HCOO]- 822.52340 271.2
[M+CH3COO]- 836.53905 291.7
[M+Na-2H]- 798.49987 280.3
[M]+ 777.52465 277.7
[M]- 777.52575 277.7
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.