CID 56090
90619-38-8
Structural Information
- Molecular Formula
- C21H26ClN3O2
- SMILES
- C1CN(CCN1CCCN2C(=O)C3CC=CCC3C2=O)C4=CC=CC=C4Cl
- InChI
- InChI=1S/C21H26ClN3O2/c22-18-8-3-4-9-19(18)24-14-12-23(13-15-24)10-5-11-25-20(26)16-6-1-2-7-17(16)21(25)27/h1-4,8-9,16-17H,5-7,10-15H2
- InChIKey
- HDEXTNRSNUZHBQ-UHFFFAOYSA-N
- Compound name
- 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 388.17864 | 196.9 |
[M+Na]+ | 410.16058 | 202.3 |
[M-H]- | 386.16408 | 201.6 |
[M+NH4]+ | 405.20518 | 207.3 |
[M+K]+ | 426.13452 | 194.7 |
[M+H-H2O]+ | 370.16862 | 185.4 |
[M+HCOO]- | 432.16956 | 203.8 |
[M+CH3COO]- | 446.18521 | 204.0 |
[M+Na-2H]- | 408.14603 | 192.9 |
[M]+ | 387.17081 | 193.4 |
[M]- | 387.17191 | 193.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.