CID 29673
19581-15-8
Structural Information
- Molecular Formula
- C22H33ClN8O2
- SMILES
- CCN(CCCCCNC1=NC(=NC(=C1N=NC2=CC=C(C=C2)C(=O)OCC)N)N)CCCl
- InChI
- InChI=1S/C22H33ClN8O2/c1-3-31(15-12-23)14-7-5-6-13-26-20-18(19(24)27-22(25)28-20)30-29-17-10-8-16(9-11-17)21(32)33-4-2/h8-11H,3-7,12-15H2,1-2H3,(H5,24,25,26,27,28)
- InChIKey
- MRASXYCZOAESQA-UHFFFAOYSA-N
- Compound name
- ethyl 4-[[2,4-diamino-6-[5-[2-chloroethyl(ethyl)amino]pentylamino]pyrimidin-5-yl]diazenyl]benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 477.24878 | 218.1 |
[M+Na]+ | 499.23072 | 221.4 |
[M-H]- | 475.23422 | 224.5 |
[M+NH4]+ | 494.27532 | 224.0 |
[M+K]+ | 515.20466 | 217.5 |
[M+H-H2O]+ | 459.23876 | 205.8 |
[M+HCOO]- | 521.23970 | 240.6 |
[M+CH3COO]- | 535.25535 | 259.0 |
[M+Na-2H]- | 497.21617 | 219.1 |
[M]+ | 476.24095 | 224.1 |
[M]- | 476.24205 | 224.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.