CID 29675
19581-16-9
Structural Information
- Molecular Formula
- C23H35ClN8O2
- SMILES
- CCN(CCCCCCNC1=NC(=NC(=C1N=NC2=CC=C(C=C2)C(=O)OCC)N)N)CCCl
- InChI
- InChI=1S/C23H35ClN8O2/c1-3-32(16-13-24)15-8-6-5-7-14-27-21-19(20(25)28-23(26)29-21)31-30-18-11-9-17(10-12-18)22(33)34-4-2/h9-12H,3-8,13-16H2,1-2H3,(H5,25,26,27,28,29)
- InChIKey
- KZRIUHPKGZUXQB-UHFFFAOYSA-N
- Compound name
- ethyl 4-[[2,4-diamino-6-[6-[2-chloroethyl(ethyl)amino]hexylamino]pyrimidin-5-yl]diazenyl]benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 491.26442 | 222.2 |
[M+Na]+ | 513.24636 | 225.0 |
[M-H]- | 489.24986 | 228.4 |
[M+NH4]+ | 508.29096 | 227.5 |
[M+K]+ | 529.22030 | 221.0 |
[M+H-H2O]+ | 473.25440 | 209.7 |
[M+HCOO]- | 535.25534 | 244.3 |
[M+CH3COO]- | 549.27099 | 261.9 |
[M+Na-2H]- | 511.23181 | 222.7 |
[M]+ | 490.25659 | 228.5 |
[M]- | 490.25769 | 228.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.