CID 10620809

Chembl132476

Structural Information

Molecular Formula
C16H26F3N3O5
SMILES
CC(C(=O)C(F)(F)F)NC(=O)[C@H](CC(=O)N(C)C)NC(=O)[C@H](C(C)(C)C)O
InChI
InChI=1S/C16H26F3N3O5/c1-8(11(24)16(17,18)19)20-13(26)9(7-10(23)22(5)6)21-14(27)12(25)15(2,3)4/h8-9,12,25H,7H2,1-6H3,(H,20,26)(H,21,27)/t8?,9-,12+/m0/s1
InChIKey
KBQOFDVFLLCXNX-BOFGBJPOSA-N
Compound name
(2S)-2-[[(2S)-2-hydroxy-3,3-dimethylbutanoyl]amino]-N',N'-dimethyl-N-(4,4,4-trifluoro-3-oxobutan-2-yl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.18246 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.18974 189.4
[M+Na]+ 420.17168 204.0
[M-H]- 396.17518 203.3
[M+NH4]+ 415.21628 202.9
[M+K]+ 436.14562 200.5
[M+H-H2O]+ 380.17972 178.6
[M+HCOO]- 442.18066 186.3
[M+CH3COO]- 456.19631 231.4
[M+Na-2H]- 418.15713 186.5
[M]+ 397.18191 184.0
[M]- 397.18301 184.0
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.