CID 29663
19565-14-1
Structural Information
- Molecular Formula
- C20H29ClN8O2
- SMILES
- CCN(CCCNC1=NC(=NC(=C1N=NC2=CC=C(C=C2)C(=O)OCC)N)N)CCCl
- InChI
- InChI=1S/C20H29ClN8O2/c1-3-29(13-10-21)12-5-11-24-18-16(17(22)25-20(23)26-18)28-27-15-8-6-14(7-9-15)19(30)31-4-2/h6-9H,3-5,10-13H2,1-2H3,(H5,22,23,24,25,26)
- InChIKey
- IELXYEIJUKJCGE-UHFFFAOYSA-N
- Compound name
- ethyl 4-[[2,4-diamino-6-[3-[2-chloroethyl(ethyl)amino]propylamino]pyrimidin-5-yl]diazenyl]benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 449.21748 | 209.9 |
[M+Na]+ | 471.19942 | 214.1 |
[M-H]- | 447.20292 | 216.7 |
[M+NH4]+ | 466.24402 | 217.0 |
[M+K]+ | 487.17336 | 210.6 |
[M+H-H2O]+ | 431.20746 | 198.0 |
[M+HCOO]- | 493.20840 | 233.1 |
[M+CH3COO]- | 507.22405 | 253.3 |
[M+Na-2H]- | 469.18487 | 211.8 |
[M]+ | 448.20965 | 215.2 |
[M]- | 448.21075 | 215.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.