CID 11350398

224631-15-6

Structural Information

Molecular Formula
C18H26N4O5S
SMILES
CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C18H26N4O5S/c1-10(2)15(17(25)27-22-13(23)6-7-14(22)24)20-18(26)21(5)8-12-9-28-16(19-12)11(3)4/h9-11,15H,6-8H2,1-5H3,(H,20,26)/t15-/m0/s1
InChIKey
CQSQKSMGPBDRME-HNNXBMFYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) (2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.16238 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.16966 198.2
[M+Na]+ 433.15160 200.8
[M-H]- 409.15510 203.9
[M+NH4]+ 428.19620 209.8
[M+K]+ 449.12554 201.2
[M+H-H2O]+ 393.15964 190.6
[M+HCOO]- 455.16058 211.4
[M+CH3COO]- 469.17623 230.0
[M+Na-2H]- 431.13705 189.6
[M]+ 410.16183 203.1
[M]- 410.16293 203.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.