CID 3071355
1-(4,6-bis-allylamino-s-triazin-2-yl)-4-(benzofuran-2-ylmethyl)piperazine
Structural Information
- Molecular Formula
- C22H27N7O
- SMILES
- C=CCNC1=NC(=NC(=N1)N2CCN(CC2)CC3=CC4=CC=CC=C4O3)NCC=C
- InChI
- InChI=1S/C22H27N7O/c1-3-9-23-20-25-21(24-10-4-2)27-22(26-20)29-13-11-28(12-14-29)16-18-15-17-7-5-6-8-19(17)30-18/h3-8,15H,1-2,9-14,16H2,(H2,23,24,25,26,27)
- InChIKey
- WJHIOLCCKAPEAS-UHFFFAOYSA-N
- Compound name
- 6-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 406.23500 | 200.9 |
[M+Na]+ | 428.21694 | 207.0 |
[M-H]- | 404.22044 | 205.0 |
[M+NH4]+ | 423.26154 | 205.1 |
[M+K]+ | 444.19088 | 199.3 |
[M+H-H2O]+ | 388.22498 | 187.4 |
[M+HCOO]- | 450.22592 | 216.1 |
[M+CH3COO]- | 464.24157 | 207.6 |
[M+Na-2H]- | 426.20239 | 203.7 |
[M]+ | 405.22717 | 200.0 |
[M]- | 405.22827 | 200.0 |
Literature stripe
No literature data available for this compound.