CID 11525765
Azd-2327
Structural Information
- Molecular Formula
- C29H35FN4O
- SMILES
- CCN(CC)C(=O)C1=CC=C(C=C1)[C@H](C2=CC(=CC=C2)N)N3CCN(CC3)CC4=CC=C(C=C4)F
- InChI
- InChI=1S/C29H35FN4O/c1-3-33(4-2)29(35)24-12-10-23(11-13-24)28(25-6-5-7-27(31)20-25)34-18-16-32(17-19-34)21-22-8-14-26(30)15-9-22/h5-15,20,28H,3-4,16-19,21,31H2,1-2H3/t28-/m1/s1
- InChIKey
- XGFLMBBZEPJGHY-MUUNZHRXSA-N
- Compound name
- 4-[(R)-(3-aminophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-N,N-diethylbenzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 475.28676 | 220.3 |
[M+Na]+ | 497.26870 | 221.2 |
[M-H]- | 473.27220 | 227.6 |
[M+NH4]+ | 492.31330 | 223.7 |
[M+K]+ | 513.24264 | 214.6 |
[M+H-H2O]+ | 457.27674 | 205.5 |
[M+HCOO]- | 519.27768 | 233.9 |
[M+CH3COO]- | 533.29333 | 246.8 |
[M+Na-2H]- | 495.25415 | 216.2 |
[M]+ | 474.27893 | 214.5 |
[M]- | 474.28003 | 214.5 |