CID 3069210
St 881
Structural Information
- Molecular Formula
- C25H31N5O3
- SMILES
- CN1CCN(CC1)CCCN2C(=O)N=C(C(=N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
- InChI
- InChI=1S/C25H31N5O3/c1-28-15-17-29(18-16-28)13-4-14-30-25(31)26-23(19-5-9-21(32-2)10-6-19)24(27-30)20-7-11-22(33-3)12-8-20/h5-12H,4,13-18H2,1-3H3
- InChIKey
- MKBAUXQPMFQVLR-UHFFFAOYSA-N
- Compound name
- 5,6-bis(4-methoxyphenyl)-2-[3-(4-methylpiperazin-1-yl)propyl]-1,2,4-triazin-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 450.24996 | 216.3 |
[M+Na]+ | 472.23190 | 222.4 |
[M-H]- | 448.23540 | 221.4 |
[M+NH4]+ | 467.27650 | 217.4 |
[M+K]+ | 488.20584 | 214.9 |
[M+H-H2O]+ | 432.23994 | 200.7 |
[M+HCOO]- | 494.24088 | 228.1 |
[M+CH3COO]- | 508.25653 | 221.9 |
[M+Na-2H]- | 470.21735 | 215.6 |
[M]+ | 449.24213 | 216.9 |
[M]- | 449.24323 | 216.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.