CID 486274

N-(1,3-thiazol-2-yl)-n'-(1,3-thiazol-2-yl)hexane-1,6-diamide

Structural Information

Molecular Formula
C12H14N4O2S2
SMILES
C1=CSC(=N1)NC(=O)CCCCC(=O)NC2=NC=CS2
InChI
InChI=1S/C12H14N4O2S2/c17-9(15-11-13-5-7-19-11)3-1-2-4-10(18)16-12-14-6-8-20-12/h5-8H,1-4H2,(H,13,15,17)(H,14,16,18)
InChIKey
LRTZYXGHWWJXLS-UHFFFAOYSA-N
Compound name
N,N'-bis(1,3-thiazol-2-yl)hexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

310.05582 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06310 168.0
[M+Na]+ 333.04504 175.7
[M-H]- 309.04854 172.9
[M+NH4]+ 328.08964 183.8
[M+K]+ 349.01898 171.3
[M+H-H2O]+ 293.05308 160.3
[M+HCOO]- 355.05402 183.8
[M+CH3COO]- 369.06967 202.0
[M+Na-2H]- 331.03049 167.6
[M]+ 310.05527 172.5
[M]- 310.05637 172.5
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

patents stripe