CID 482923

2-(6-aminohexanoylamino)-n-[4-[[(2s)-2,3-dihydroxypropyl]carbamoyl]thiazol-2-yl]thiazole-4-carboxamide

Structural Information

Molecular Formula
C17H24N6O5S2
SMILES
C1=C(N=C(S1)NC(=O)CCCCCN)C(=O)NC2=NC(=CS2)C(=O)NC[C@@H](CO)O
InChI
InChI=1S/C17H24N6O5S2/c18-5-3-1-2-4-13(26)22-16-21-12(9-29-16)15(28)23-17-20-11(8-30-17)14(27)19-6-10(25)7-24/h8-10,24-25H,1-7,18H2,(H,19,27)(H,20,23,28)(H,21,22,26)/t10-/m0/s1
InChIKey
AGEUDJQTVNNGCD-JTQLQIEISA-N
Compound name
2-(6-aminohexanoylamino)-N-[4-[[(2S)-2,3-dihydroxypropyl]carbamoyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

456.12497 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.13225 198.3
[M+Na]+ 479.11419 200.0
[M-H]- 455.11769 199.3
[M+NH4]+ 474.15879 205.2
[M+K]+ 495.08813 195.6
[M+H-H2O]+ 439.12223 189.7
[M+HCOO]- 501.12317 209.1
[M+CH3COO]- 515.13882 231.3
[M+Na-2H]- 477.09964 195.5
[M]+ 456.12442 201.0
[M]- 456.12552 201.0
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.