CID 10721006

Nordysidenin

Structural Information

Molecular Formula
C16H21Cl6N3O2S
SMILES
C[C@@H](C[C@@H](C(=O)N[C@@H](C)C1=NC=CS1)NC(=O)C[C@H](C)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C16H21Cl6N3O2S/c1-8(15(17,18)19)6-11(25-12(26)7-9(2)16(20,21)22)13(27)24-10(3)14-23-4-5-28-14/h4-5,8-11H,6-7H2,1-3H3,(H,24,27)(H,25,26)/t8-,9-,10-,11-/m0/s1
InChIKey
JXAGQUPIAAXRDS-NAKRPEOUSA-N
Compound name
(2S,4S)-5,5,5-trichloro-4-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-2-[[(3S)-4,4,4-trichloro-3-methylbutanoyl]amino]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.94855 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.95583 209.6
[M+Na]+ 551.93777 210.1
[M-H]- 527.94127 206.2
[M+NH4]+ 546.98237 215.9
[M+K]+ 567.91171 207.0
[M+H-H2O]+ 511.94581 206.5
[M+HCOO]- 573.94675 191.6
[M+CH3COO]- 587.96240 237.9
[M+Na-2H]- 549.92322 201.0
[M]+ 528.94800 208.3
[M]- 528.94910 208.3
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.