CID 3066801
Sr 95538
Structural Information
- Molecular Formula
- C15H14N4O2
- SMILES
- CC1=CC(=NN(C1=N)CC2=CC(=O)NO2)C3=CC=CC=C3
- InChI
- InChI=1S/C15H14N4O2/c1-10-7-13(11-5-3-2-4-6-11)17-19(15(10)16)9-12-8-14(20)18-21-12/h2-8,16H,9H2,1H3,(H,18,20)
- InChIKey
- DHLJRIFIBJGWBS-UHFFFAOYSA-N
- Compound name
- 5-[(6-imino-5-methyl-3-phenylpyridazin-1-yl)methyl]-1,2-oxazol-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 283.11894 | 164.2 |
[M+Na]+ | 305.10088 | 179.3 |
[M+NH4]+ | 300.14548 | 170.3 |
[M+K]+ | 321.07482 | 174.7 |
[M-H]- | 281.10438 | 169.4 |
[M+Na-2H]- | 303.08633 | 172.8 |
[M]+ | 282.11111 | 167.7 |
[M]- | 282.11221 | 167.7 |
Literature stripe
No literature data available for this compound.