CID 155801651

Dtxsid601046683

Structural Information

Molecular Formula
C24H33N3O3S
SMILES
CCC(C)C(C1=NC(=CS1)C(=O)OC)NC(=O)C(CC2=CC=CC=C2)NC(C)(C)C=C
InChI
InChI=1S/C24H33N3O3S/c1-7-16(3)20(22-25-19(15-31-22)23(29)30-6)26-21(28)18(27-24(4,5)8-2)14-17-12-10-9-11-13-17/h8-13,15-16,18,20,27H,2,7,14H2,1,3-6H3,(H,26,28)
InChIKey
BHCCHKMYTWNSMQ-UHFFFAOYSA-N
Compound name
methyl 2-[2-methyl-1-[[2-(2-methylbut-3-en-2-ylamino)-3-phenylpropanoyl]amino]butyl]-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.22427 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.23155 211.9
[M+Na]+ 466.21349 212.5
[M-H]- 442.21699 216.0
[M+NH4]+ 461.25809 220.7
[M+K]+ 482.18743 209.2
[M+H-H2O]+ 426.22153 203.1
[M+HCOO]- 488.22247 223.8
[M+CH3COO]- 502.23812 235.7
[M+Na-2H]- 464.19894 206.6
[M]+ 443.22372 215.5
[M]- 443.22482 215.5
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.