CID 18072105

1-(4-methyl-1,3-thiazole-5-carbonyl)-1,4-diazepane hydrochloride

Structural Information

Molecular Formula
C10H15N3OS
SMILES
CC1=C(SC=N1)C(=O)N2CCCNCC2
InChI
InChI=1S/C10H15N3OS/c1-8-9(15-7-12-8)10(14)13-5-2-3-11-4-6-13/h7,11H,2-6H2,1H3
InChIKey
IHAJOFVLYMGMGV-UHFFFAOYSA-N
Compound name
1,4-diazepan-1-yl-(4-methyl-1,3-thiazol-5-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09358 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.100856 149.5
[M+Na]+ 248.082798 153.9
[M-H]- 224.086304 151.7
[M+NH4]+ 243.127403 163.8
[M+K]+ 264.056738 154.7
[M+H-H2O]+ 208.090840 140.3
[M+HCOO]- 270.091781 160.3
[M+CH3COO]- 284.107431 159.1
[M+Na-2H]- 246.068246 147.9
[M]+ 225.09303142 143.0
[M]- 225.09412858 143.0
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.