CID 163358945

Fusahexin

Structural Information

Molecular Formula
C30H50N6O7
SMILES
C[C@@H]1[C@@H]2C(=O)N3[C@@H](CC[C@H]3O1)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2)CC(C)C)C)CC(C)C)CC(C)C
InChI
InChI=1S/C30H50N6O7/c1-14(2)11-19-26(38)31-17(7)25(37)32-21(13-16(5)6)28(40)35-24-18(8)43-23-10-9-22(36(23)30(24)42)29(41)34-20(12-15(3)4)27(39)33-19/h14-24H,9-13H2,1-8H3,(H,31,38)(H,32,37)(H,33,39)(H,34,41)(H,35,40)/t17-,18-,19+,20-,21+,22+,23-,24-/m1/s1
InChIKey
KALBWDFILFPIEW-MGESPVMDSA-N
Compound name
(1S,4R,7S,10R,13S,16R,17R,19R)-10,17-dimethyl-4,7,13-tris(2-methylpropyl)-18-oxa-3,6,9,12,15,22-hexazatricyclo[14.5.2.019,22]tricosane-2,5,8,11,14,23-hexone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.3741 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.38138 257.6
[M+Na]+ 629.36332 258.0
[M-H]- 605.36682 246.7
[M+NH4]+ 624.40792 249.6
[M+K]+ 645.33726 253.3
[M+H-H2O]+ 589.37136 255.0
[M+HCOO]- 651.37230 244.1
[M+CH3COO]- 665.38795 256.5
[M+Na-2H]- 627.34877 252.5
[M]+ 606.37355 247.1
[M]- 606.37465 247.1
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.