CID 33973

Benzo(c)thiophene, 4,5,6,7-tetrahydro-1-(2-oxazolinyl)amino-

Structural Information

Molecular Formula
C11H14N2OS
SMILES
C1CCC2=C(SC=C2C1)NC3=NCCO3
InChI
InChI=1S/C11H14N2OS/c1-2-4-9-8(3-1)7-15-10(9)13-11-12-5-6-14-11/h7H,1-6H2,(H,12,13)
InChIKey
SHHCRZDGVXPDFM-UHFFFAOYSA-N
Compound name
N-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.08269 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.089966 146.1
[M+Na]+ 245.071908 153.5
[M-H]- 221.075414 153.1
[M+NH4]+ 240.116513 166.9
[M+K]+ 261.045848 151.8
[M+H-H2O]+ 205.079950 140.4
[M+HCOO]- 267.080891 163.2
[M+CH3COO]- 281.096541 159.0
[M+Na-2H]- 243.057356 148.3
[M]+ 222.08214142 145.4
[M]- 222.08323858 145.4
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

patents stripe