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
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 |