CID 7131963

[5-(1,3-benzothiazol-2-yl)furan-2-yl]methanamine

Structural Information

Molecular Formula
C12H10N2OS
SMILES
C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)CN
InChI
InChI=1S/C12H10N2OS/c13-7-8-5-6-10(15-8)12-14-9-3-1-2-4-11(9)16-12/h1-6H,7,13H2
InChIKey
GQCOQKCMXKBKIE-UHFFFAOYSA-N
Compound name
[5-(1,3-benzothiazol-2-yl)furan-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.05139 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05867 146.8
[M+Na]+ 253.04061 158.9
[M-H]- 229.04411 155.2
[M+NH4]+ 248.08521 167.6
[M+K]+ 269.01455 155.5
[M+H-H2O]+ 213.04865 141.3
[M+HCOO]- 275.04959 168.6
[M+CH3COO]- 289.06524 161.6
[M+Na-2H]- 251.02606 150.5
[M]+ 230.05084 151.6
[M]- 230.05194 151.6
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.