CID 5276675
Chembl362019
Structural Information
- Molecular Formula
- C41H37Cl2N7O2
- SMILES
- C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3C2=O)CCN=C4C=C5C(=NC6=CC=CC=C6N5C7=CC=C(C=C7)Cl)C=C4NC8=CC=C(C=C8)Cl
- InChI
- InChI=1S/C41H37Cl2N7O2/c42-28-10-14-30(15-11-28)45-36-26-37-39(50(31-16-12-29(43)13-17-31)38-9-4-3-8-34(38)46-37)27-35(36)44-18-21-48-24-22-47(23-25-48)19-5-20-49-40(51)32-6-1-2-7-33(32)41(49)52/h1-4,6-17,26-27,45H,5,18-25H2
- InChIKey
- ONPKQFLIPCRHOS-UHFFFAOYSA-N
- Compound name
- 2-[3-[4-[2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]ethyl]piperazin-1-yl]propyl]isoindole-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 730.24588 | 270.9 |
[M+Na]+ | 752.22782 | 275.7 |
[M-H]- | 728.23132 | 279.9 |
[M+NH4]+ | 747.27242 | 265.8 |
[M+K]+ | 768.20176 | 264.4 |
[M+H-H2O]+ | 712.23586 | 251.0 |
[M+HCOO]- | 774.23680 | 270.0 |
[M+CH3COO]- | 788.25245 | 271.1 |
[M+Na-2H]- | 750.21327 | 266.6 |
[M]+ | 729.23805 | 272.4 |
[M]- | 729.23915 | 272.4 |
Literature stripe
Patent stripe
No patent data available for this compound.