CID 479279

2-(6-aminohexanoylamino)-n-[4-(6-aminohexylcarbamoyl)thiazol-2-yl]thiazole-4-carboxamide

Structural Information

Molecular Formula
C20H31N7O3S2
SMILES
C1=C(N=C(S1)NC(=O)CCCCCN)C(=O)NC2=NC(=CS2)C(=O)NCCCCCCN
InChI
InChI=1S/C20H31N7O3S2/c21-9-5-1-2-7-11-23-17(29)14-12-32-20(24-14)27-18(30)15-13-31-19(25-15)26-16(28)8-4-3-6-10-22/h12-13H,1-11,21-22H2,(H,23,29)(H,24,27,30)(H,25,26,28)
InChIKey
UPIOSHYCJFRGEX-UHFFFAOYSA-N
Compound name
2-(6-aminohexanoylamino)-N-[4-(6-aminohexylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

481.193 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.20028 206.0
[M+Na]+ 504.18222 207.7
[M-H]- 480.18572 208.6
[M+NH4]+ 499.22682 213.2
[M+K]+ 520.15616 201.9
[M+H-H2O]+ 464.19026 196.1
[M+HCOO]- 526.19120 219.8
[M+CH3COO]- 540.20685 243.2
[M+Na-2H]- 502.16767 203.0
[M]+ 481.19245 209.4
[M]- 481.19355 209.4
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.