CID 5328748
Ag-370
Structural Information
- Molecular Formula
- C15H9N5
- SMILES
- C1=CC2=C(C=CN2)C=C1/C=C(\C#N)/C(=C(C#N)C#N)N
- InChI
- InChI=1S/C15H9N5/c16-7-12(15(19)13(8-17)9-18)6-10-1-2-14-11(5-10)3-4-20-14/h1-6,20H,19H2/b12-6+
- InChIKey
- CMMDWEJTQUTCKG-WUXMJOGZSA-N
- Compound name
- (3Z)-2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 260.09308 | 185.5 |
[M+Na]+ | 282.07502 | 192.7 |
[M-H]- | 258.07852 | 187.1 |
[M+NH4]+ | 277.11962 | 191.5 |
[M+K]+ | 298.04896 | 186.9 |
[M+H-H2O]+ | 242.08306 | 171.1 |
[M+HCOO]- | 304.08400 | 188.9 |
[M+CH3COO]- | 318.09965 | 186.8 |
[M+Na-2H]- | 280.06047 | 181.5 |
[M]+ | 259.08525 | 175.6 |
[M]- | 259.08635 | 175.6 |