CID 715680

87874-18-8

Structural Information

Molecular Formula
C12H8N2O2S
SMILES
C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC=CO3
InChI
InChI=1S/C12H8N2O2S/c15-11(9-5-3-7-16-9)14-12-13-8-4-1-2-6-10(8)17-12/h1-7H,(H,13,14,15)
InChIKey
IEHMTXRMAOBNOS-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

244.03065 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03793 150.5
[M+Na]+ 267.01987 161.4
[M-H]- 243.02337 159.2
[M+NH4]+ 262.06447 170.5
[M+K]+ 282.99381 158.9
[M+H-H2O]+ 227.02791 144.8
[M+HCOO]- 289.02885 172.3
[M+CH3COO]- 303.04450 164.8
[M+Na-2H]- 265.00532 154.8
[M]+ 244.03010 155.8
[M]- 244.03120 155.8
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