CID 5276677
Chembl361534
Structural Information
- Molecular Formula
- C43H41Cl2N7O2
- SMILES
- C1CN(CCN1CCCCCN2C(=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/C43H41Cl2N7O2/c44-30-12-16-32(17-13-30)47-38-28-39-41(52(33-18-14-31(45)15-19-33)40-11-5-4-10-36(40)48-39)29-37(38)46-20-23-50-26-24-49(25-27-50)21-6-1-7-22-51-42(53)34-8-2-3-9-35(34)43(51)54/h2-5,8-19,28-29,47H,1,6-7,20-27H2
- InChIKey
- IJUQADKDKJULIF-UHFFFAOYSA-N
- Compound name
- 2-[5-[4-[2-[[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]ethyl]piperazin-1-yl]pentyl]isoindole-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 758.27718 | 277.6 |
[M+Na]+ | 780.25912 | 281.5 |
[M-H]- | 756.26262 | 286.2 |
[M+NH4]+ | 775.30372 | 271.4 |
[M+K]+ | 796.23306 | 269.9 |
[M+H-H2O]+ | 740.26716 | 257.3 |
[M+HCOO]- | 802.26810 | 276.1 |
[M+CH3COO]- | 816.28375 | 277.0 |
[M+Na-2H]- | 778.24457 | 272.5 |
[M]+ | 757.26935 | 279.5 |
[M]- | 757.27045 | 279.5 |
Literature stripe
Patent stripe
No patent data available for this compound.