CID 479276

2-(6-aminohexanoylamino)-n-[4-[[4-[[4-[3-(dimethylamino)propylcarbamoyl]thiazol-2-yl]carbamoyl]thiazol-2-yl]carbamoyl]thiazol-2-yl]thiazole-4-carboxamide

Structural Information

Molecular Formula
C27H33N11O5S4
SMILES
CN(C)CCCNC(=O)C1=CSC(=N1)NC(=O)C2=CSC(=N2)NC(=O)C3=CSC(=N3)NC(=O)C4=CSC(=N4)NC(=O)CCCCCN
InChI
InChI=1S/C27H33N11O5S4/c1-38(2)10-6-9-29-20(40)15-11-45-25(30-15)35-22(42)17-13-47-27(32-17)37-23(43)18-14-46-26(33-18)36-21(41)16-12-44-24(31-16)34-19(39)7-4-3-5-8-28/h11-14H,3-10,28H2,1-2H3,(H,29,40)(H,30,35,42)(H,31,34,39)(H,32,37,43)(H,33,36,41)
InChIKey
OZFSNCLFOFWSKM-UHFFFAOYSA-N
Compound name
2-(6-aminohexanoylamino)-N-[4-[[4-[[4-[3-(dimethylamino)propylcarbamoyl]-1,3-thiazol-2-yl]carbamoyl]-1,3-thiazol-2-yl]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

719.1549 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 720.16218 261.2
[M+Na]+ 742.14412 273.9
[M-H]- 718.14762 263.9
[M+NH4]+ 737.18872 268.3
[M+K]+ 758.11806 273.5
[M+H-H2O]+ 702.15216 246.2
[M+HCOO]- 764.15310 268.5
[M+CH3COO]- 778.16875 280.1
[M+Na-2H]- 740.12957 271.6
[M]+ 719.15435 310.9
[M]- 719.15545 310.9
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.