CID 462244
Men 10992
Structural Information
- Molecular Formula
- C19H20N4O
- SMILES
- CCN1C2=CC=CC=C2C3=C1C(=O)N(C4=C(N3CC)N=CC=C4)C
- InChI
- InChI=1S/C19H20N4O/c1-4-22-14-10-7-6-9-13(14)16-17(22)19(24)21(3)15-11-8-12-20-18(15)23(16)5-2/h6-12H,4-5H2,1-3H3
- InChIKey
- BTYJPBVNYCWONC-UHFFFAOYSA-N
- Compound name
- 2,12-diethyl-9-methyl-2,4,9,12-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3(8),4,6,13,15,17-heptaen-10-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 321.17098 | 179.8 |
[M+Na]+ | 343.15292 | 192.2 |
[M-H]- | 319.15642 | 183.8 |
[M+NH4]+ | 338.19752 | 194.1 |
[M+K]+ | 359.12686 | 188.5 |
[M+H-H2O]+ | 303.16096 | 170.3 |
[M+HCOO]- | 365.16190 | 195.9 |
[M+CH3COO]- | 379.17755 | 190.5 |
[M+Na-2H]- | 341.13837 | 183.5 |
[M]+ | 320.16315 | 182.1 |
[M]- | 320.16425 | 182.1 |
Literature stripe
Patent stripe
No patent data available for this compound.