CID 44540845
Ws 50030
Structural Information
- Molecular Formula
- C23H25N3O2
- SMILES
- C1CN(CCN1CCCC2=CCC3=CC=CC=C32)C4=CC=CC5=C4OC(=O)N5
- InChI
- InChI=1S/C23H25N3O2/c27-23-24-20-8-3-9-21(22(20)28-23)26-15-13-25(14-16-26)12-4-6-18-11-10-17-5-1-2-7-19(17)18/h1-3,5,7-9,11H,4,6,10,12-16H2,(H,24,27)
- InChIKey
- NBEGULJEDOLHOO-UHFFFAOYSA-N
- Compound name
- 7-[4-[3-(3H-inden-1-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 376.20195 | 189.6 |
[M+Na]+ | 398.18389 | 197.3 |
[M-H]- | 374.18739 | 196.6 |
[M+NH4]+ | 393.22849 | 200.7 |
[M+K]+ | 414.15783 | 190.5 |
[M+H-H2O]+ | 358.19193 | 179.4 |
[M+HCOO]- | 420.19287 | 204.4 |
[M+CH3COO]- | 434.20852 | 198.6 |
[M+Na-2H]- | 396.16934 | 189.4 |
[M]+ | 375.19412 | 189.3 |
[M]- | 375.19522 | 189.3 |
Literature stripe
Patent stripe
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