CID 479277

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

Structural Information

Molecular Formula
C15H20N6O3S2
SMILES
CNC(=O)C1=CSC(=N1)NC(=O)C2=CSC(=N2)NC(=O)CCCCCN
InChI
InChI=1S/C15H20N6O3S2/c1-17-12(23)9-7-26-15(18-9)21-13(24)10-8-25-14(19-10)20-11(22)5-3-2-4-6-16/h7-8H,2-6,16H2,1H3,(H,17,23)(H,18,21,24)(H,19,20,22)
InChIKey
KPRQYICDKWJBGZ-UHFFFAOYSA-N
Compound name
2-(6-aminohexanoylamino)-N-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.10382 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.11110 188.0
[M+Na]+ 419.09304 193.0
[M-H]- 395.09654 192.2
[M+NH4]+ 414.13764 199.2
[M+K]+ 435.06698 188.2
[M+H-H2O]+ 379.10108 179.3
[M+HCOO]- 441.10202 203.0
[M+CH3COO]- 455.11767 224.3
[M+Na-2H]- 417.07849 186.0
[M]+ 396.10327 191.6
[M]- 396.10437 191.6
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.