CID 16102148
Rapalexin a
Structural Information
- Molecular Formula
- C10H8N2OS
- SMILES
- COC1=CC=CC2=C1C(=CN2)N=C=S
- InChI
- InChI=1S/C10H8N2OS/c1-13-9-4-2-3-7-10(9)8(5-11-7)12-6-14/h2-5,11H,1H3
- InChIKey
- DJDFPSQNQFBWJR-UHFFFAOYSA-N
- Compound name
- 3-isothiocyanato-4-methoxy-1H-indole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 205.04302 | 140.2 |
[M+Na]+ | 227.02496 | 151.9 |
[M-H]- | 203.02846 | 144.7 |
[M+NH4]+ | 222.06956 | 161.9 |
[M+K]+ | 242.99890 | 147.2 |
[M+H-H2O]+ | 187.03300 | 134.4 |
[M+HCOO]- | 249.03394 | 161.8 |
[M+CH3COO]- | 263.04959 | 184.6 |
[M+Na-2H]- | 225.01041 | 145.5 |
[M]+ | 204.03519 | 144.5 |
[M]- | 204.03629 | 144.5 |