CID 65087
2,4-diaminoquinazoline
Structural Information
- Molecular Formula
- C8H8N4
- SMILES
- C1=CC=C2C(=C1)C(=NC(=N2)N)N
- InChI
- InChI=1S/C8H8N4/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,(H4,9,10,11,12)
- InChIKey
- XELRMPRLCPFTBH-UHFFFAOYSA-N
- Compound name
- quinazoline-2,4-diamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 161.08217 | 131.0 |
[M+Na]+ | 183.06411 | 140.8 |
[M-H]- | 159.06761 | 132.7 |
[M+NH4]+ | 178.10871 | 149.5 |
[M+K]+ | 199.03805 | 137.0 |
[M+H-H2O]+ | 143.07215 | 123.7 |
[M+HCOO]- | 205.07309 | 154.1 |
[M+CH3COO]- | 219.08874 | 144.3 |
[M+Na-2H]- | 181.04956 | 140.6 |
[M]+ | 160.07434 | 127.9 |
[M]- | 160.07544 | 127.9 |