CID 9579598

1189062-66-5

Structural Information

Molecular Formula
C13H10N2O3S
SMILES
C1OC2=C(O1)C=C(C=C2)C(=O)N/N=C/C3=CC=CS3
InChI
InChI=1S/C13H10N2O3S/c16-13(15-14-7-10-2-1-5-19-10)9-3-4-11-12(6-9)18-8-17-11/h1-7H,8H2,(H,15,16)/b14-7+
InChIKey
YMOJHAPRGAZUPL-VGOFMYFVSA-N
Compound name
N-[(E)-thiophen-2-ylmethylideneamino]-1,3-benzodioxole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

7
Patents

274.0412 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04848 159.7
[M+Na]+ 297.03042 167.8
[M-H]- 273.03392 170.6
[M+NH4]+ 292.07502 178.4
[M+K]+ 313.00436 167.2
[M+H-H2O]+ 257.03846 154.4
[M+HCOO]- 319.03940 181.5
[M+CH3COO]- 333.05505 173.2
[M+Na-2H]- 295.01587 163.9
[M]+ 274.04065 164.3
[M]- 274.04175 164.3
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