CID 479274

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

Structural Information

Molecular Formula
C19H29N7O3S2
SMILES
CN(C)CCCNC(=O)C1=CSC(=N1)NC(=O)C2=CSC(=N2)NC(=O)CCCCCN
InChI
InChI=1S/C19H29N7O3S2/c1-26(2)10-6-9-21-16(28)13-11-31-19(22-13)25-17(29)14-12-30-18(23-14)24-15(27)7-4-3-5-8-20/h11-12H,3-10,20H2,1-2H3,(H,21,28)(H,22,25,29)(H,23,24,27)
InChIKey
KDSRFFKTZKVZOG-UHFFFAOYSA-N
Compound name
2-(6-aminohexanoylamino)-N-[4-[3-(dimethylamino)propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

467.17734 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.18462 206.5
[M+Na]+ 490.16656 208.7
[M-H]- 466.17006 211.3
[M+NH4]+ 485.21116 215.1
[M+K]+ 506.14050 204.8
[M+H-H2O]+ 450.17460 196.6
[M+HCOO]- 512.17554 221.5
[M+CH3COO]- 526.19119 243.7
[M+Na-2H]- 488.15201 203.8
[M]+ 467.17679 211.8
[M]- 467.17789 211.8
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.