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]+ 226.10086 149.5
[M+Na]+ 248.08280 153.9
[M-H]- 224.08630 151.7
[M+NH4]+ 243.12740 163.8
[M+K]+ 264.05674 154.7
[M+H-H2O]+ 208.09084 140.3
[M+HCOO]- 270.09178 160.3
[M+CH3COO]- 284.10743 159.1
[M+Na-2H]- 246.06825 147.9
[M]+ 225.09303 143.0
[M]- 225.09413 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.