CID 139589741

Kohamamide b

Structural Information

Molecular Formula
C41H69N5O9
SMILES
CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@H](C(C(=O)N[C@H](C(=O)N([C@H](C(=O)O1)C(C)C)C)C(C)C)(C)C)CCCC=C)C)CC(C)C
InChI
InChI=1S/C41H69N5O9/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/h14,23-33H,1,15-22H2,2-13H3,(H,42,47)(H,43,48)(H,44,53)/t26-,27-,28-,29-,30-,31-,32-,33-/m0/s1
InChIKey
HZXADFFZXXFRJU-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-pent-4-enyl-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

775.5095 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 776.51678 271.3
[M+Na]+ 798.49872 273.5
[M-H]- 774.50222 263.3
[M+NH4]+ 793.54332 268.8
[M+K]+ 814.47266 251.8
[M+H-H2O]+ 758.50676 247.4
[M+HCOO]- 820.50770 269.9
[M+CH3COO]- 834.52335 291.3
[M+Na-2H]- 796.48417 278.9
[M]+ 775.50895 276.3
[M]- 775.51005 276.3
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.