CID 5490738
75214-61-8
Structural Information
- Molecular Formula
- C20H15N3O2S
- SMILES
- CN(C)C1=CC=C(C=C1)C=C2C(=C(C#N)C#N)C3=CC=CC=C3S2(O)O
- InChI
- InChI=1S/C20H15N3O2S/c1-23(2)16-9-7-14(8-10-16)11-19-20(15(12-21)13-22)17-5-3-4-6-18(17)26(19,24)25/h3-11H,1-2H3
- InChIKey
- VXUVPVBTOKITQX-UHFFFAOYSA-N
- Compound name
- 2-[2-[[4-(dimethylamino)phenyl]methylidene]-1,1-dihydroxy-1-benzothiophen-3-ylidene]propanedinitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 362.09578 | 206.9 |
[M+Na]+ | 384.07772 | 218.3 |
[M-H]- | 360.08122 | 211.8 |
[M+NH4]+ | 379.12232 | 218.2 |
[M+K]+ | 400.05166 | 208.9 |
[M+H-H2O]+ | 344.08576 | 192.0 |
[M+HCOO]- | 406.08670 | 213.0 |
[M+CH3COO]- | 420.10235 | 211.6 |
[M+Na-2H]- | 382.06317 | 203.1 |
[M]+ | 361.08795 | 199.3 |
[M]- | 361.08905 | 199.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.