CID 24941263

(3s,5e)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2h)-imine

Structural Information

Molecular Formula
C10H14N2OS
SMILES
CCC[C@H]1COC2=C(C(=N1)N)SC=C2
InChI
InChI=1S/C10H14N2OS/c1-2-3-7-6-13-8-4-5-14-9(8)10(11)12-7/h4-5,7H,2-3,6H2,1H3,(H2,11,12)/t7-/m0/s1
InChIKey
JIIBOYBTIWHZFJ-ZETCQYMHSA-N
Compound name
(3S)-3-propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

210.08269 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.08997 143.7
[M+Na]+ 233.07191 150.3
[M-H]- 209.07541 148.5
[M+NH4]+ 228.11651 161.9
[M+K]+ 249.04585 152.2
[M+H-H2O]+ 193.07995 137.7
[M+HCOO]- 255.08089 159.8
[M+CH3COO]- 269.09654 155.8
[M+Na-2H]- 231.05736 146.1
[M]+ 210.08214 142.5
[M]- 210.08324 142.5
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