CID 46197154

Microcyclamide gl614a

Structural Information

Molecular Formula
C26H30N8O6S2
SMILES
CC[C@H](C)[C@H]1C2=NC(=CS2)C(=O)N[C@H](C3=NC(=CS3)C(=O)N[C@H](C4=NC(=C(O4)C)C(=O)N1)C)CC5C(=O)NC(=O)N5C
InChI
InChI=1S/C26H30N8O6S2/c1-6-10(2)17-25-30-15(9-42-25)20(36)28-13(7-16-21(37)33-26(39)34(16)5)24-29-14(8-41-24)19(35)27-11(3)23-32-18(12(4)40-23)22(38)31-17/h8-11,13,16-17H,6-7H2,1-5H3,(H,27,35)(H,28,36)(H,31,38)(H,33,37,39)/t10-,11-,13-,16?,17-/m0/s1
InChIKey
YMVUMOCTCMIYEH-YQNZXUTESA-N
Compound name
(4S,11S,18S)-11-[(2S)-butan-2-yl]-4,7-dimethyl-18-[(3-methyl-2,5-dioxoimidazolidin-4-yl)methyl]-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

614.173 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.18028 231.2
[M+Na]+ 637.16222 240.4
[M-H]- 613.16572 228.4
[M+NH4]+ 632.20682 231.5
[M+K]+ 653.13616 238.4
[M+H-H2O]+ 597.17026 237.1
[M+HCOO]- 659.17120 224.3
[M+CH3COO]- 673.18685 234.1
[M+Na-2H]- 635.14767 210.6
[M]+ 614.17245 236.2
[M]- 614.17355 236.2
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.