CID 3060255
Brn 5653166
Structural Information
- Molecular Formula
- C22H20ClN5O2
- SMILES
- C1CN(C(=O)C(=O)N1CC2=CC=C(C=C2)NC3=NC=CC=N3)CC4=CC=C(C=C4)Cl
- InChI
- InChI=1S/C22H20ClN5O2/c23-18-6-2-16(3-7-18)14-27-12-13-28(21(30)20(27)29)15-17-4-8-19(9-5-17)26-22-24-10-1-11-25-22/h1-11H,12-15H2,(H,24,25,26)
- InChIKey
- WEJODZKDXQJYQK-UHFFFAOYSA-N
- Compound name
- 1-[(4-chlorophenyl)methyl]-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 422.13783 | 202.4 |
[M+Na]+ | 444.11977 | 209.4 |
[M-H]- | 420.12327 | 208.7 |
[M+NH4]+ | 439.16437 | 206.3 |
[M+K]+ | 460.09371 | 200.5 |
[M+H-H2O]+ | 404.12781 | 188.1 |
[M+HCOO]- | 466.12875 | 213.3 |
[M+CH3COO]- | 480.14440 | 209.2 |
[M+Na-2H]- | 442.10522 | 204.4 |
[M]+ | 421.13000 | 201.1 |
[M]- | 421.13110 | 201.1 |
Literature stripe
No literature data available for this compound.