CID 162873238

Mayotamides a

Structural Information

Molecular Formula
C30H43N7O4S4
SMILES
CC[C@H](C)[C@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H](CS3)C(=O)N[C@H](C(=O)N4CCC[C@H]4C5=N[C@@H](CS5)C(=O)N1)C(C)C)CCSC
InChI
InChI=1S/C30H43N7O4S4/c1-6-16(4)23-29-34-18(14-45-29)24(38)31-17(9-11-42-5)27-32-19(12-43-27)25(39)35-22(15(2)3)30(41)37-10-7-8-21(37)28-33-20(13-44-28)26(40)36-23/h14-17,19-23H,6-13H2,1-5H3,(H,31,38)(H,35,39)(H,36,40)/t16-,17-,19-,20-,21-,22-,23-/m0/s1
InChIKey
LSEYSXPYKIZRFF-CQETUWSJSA-N
Compound name
(2S,8S,11R,15S,22S,25R)-22-[(2S)-butan-2-yl]-15-(2-methylsulfanylethyl)-8-propan-2-yl-13,20,27-trithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),18,21(29)-tetraene-7,10,17,24-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

693.22595 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 694.23323 229.4
[M+Na]+ 716.21517 234.6
[M-H]- 692.21867 222.2
[M+NH4]+ 711.25977 231.6
[M+K]+ 732.18911 233.1
[M+H-H2O]+ 676.22321 239.9
[M+HCOO]- 738.22415 211.9
[M+CH3COO]- 752.23980 229.6
[M+Na-2H]- 714.20062 222.8
[M]+ 693.22540 230.4
[M]- 693.22650 230.4
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.