CID 10078274

Mayotamides b

Structural Information

Molecular Formula
C29H41N7O4S4
SMILES
CC(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/C29H41N7O4S4/c1-14(2)21-28-33-17(13-44-28)23(37)30-16(8-10-41-5)26-31-18(11-42-26)25(39)35-22(15(3)4)29(40)36-9-6-7-20(36)27-32-19(12-43-27)24(38)34-21/h13-16,18-22H,6-12H2,1-5H3,(H,30,37)(H,34,38)(H,35,39)/t16-,18-,19-,20-,21-,22-/m0/s1
InChIKey
GALKRPSQRJNMSL-PLOPKLDOSA-N
Compound name
(2S,8S,11R,15S,22S,25R)-15-(2-methylsulfanylethyl)-8,22-di(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

679.21027 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 680.21755 227.0
[M+Na]+ 702.19949 232.6
[M-H]- 678.20299 219.9
[M+NH4]+ 697.24409 229.6
[M+K]+ 718.17343 231.1
[M+H-H2O]+ 662.20753 237.5
[M+HCOO]- 724.20847 209.7
[M+CH3COO]- 738.22412 227.4
[M+Na-2H]- 700.18494 220.5
[M]+ 679.20972 227.7
[M]- 679.21082 227.7
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.