CID 5311200
158985-00-3
Structural Information
- Molecular Formula
- C18H19ClN4
- SMILES
- C1CN(CCN1CC2=CNC3=C2C=CC=N3)C4=CC=C(C=C4)Cl
- InChI
- InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
- InChIKey
- OGJGQVFWEPNYSB-UHFFFAOYSA-N
- Compound name
- 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 327.13710 | 177.1 |
[M+Na]+ | 349.11904 | 185.4 |
[M-H]- | 325.12254 | 180.2 |
[M+NH4]+ | 344.16364 | 188.0 |
[M+K]+ | 365.09298 | 176.5 |
[M+H-H2O]+ | 309.12708 | 165.3 |
[M+HCOO]- | 371.12802 | 187.2 |
[M+CH3COO]- | 385.14367 | 185.8 |
[M+Na-2H]- | 347.10449 | 179.7 |
[M]+ | 326.12927 | 174.8 |
[M]- | 326.13037 | 174.8 |