CID 15295578
3-{[(1r)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
Structural Information
- Molecular Formula
- C17H15N3O2
- SMILES
- C[C@H](C1=CC=CC=C1)NC2=C(C(=O)C2=O)NC3=CC=NC=C3
- InChI
- InChI=1S/C17H15N3O2/c1-11(12-5-3-2-4-6-12)19-14-15(17(22)16(14)21)20-13-7-9-18-10-8-13/h2-11,19H,1H3,(H,18,20)/t11-/m1/s1
- InChIKey
- MCBPNFWHHNJTGN-LLVKDONJSA-N
- Compound name
- 3-[[(1R)-1-phenylethyl]amino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 294.12370 | 168.3 |
[M+Na]+ | 316.10564 | 174.6 |
[M-H]- | 292.10914 | 176.7 |
[M+NH4]+ | 311.15024 | 174.9 |
[M+K]+ | 332.07958 | 173.5 |
[M+H-H2O]+ | 276.11368 | 152.4 |
[M+HCOO]- | 338.11462 | 192.6 |
[M+CH3COO]- | 352.13027 | 210.7 |
[M+Na-2H]- | 314.09109 | 173.2 |
[M]+ | 293.11587 | 177.6 |
[M]- | 293.11697 | 177.6 |