CID 36686
34137-59-2
Structural Information
- Molecular Formula
- C26H29N3
- SMILES
- CC1=CC(=CC=C1)CN2CCN(CC2)C3C4=C(CCC5=CC=CC=C35)N=CC=C4
- InChI
- InChI=1S/C26H29N3/c1-20-6-4-7-21(18-20)19-28-14-16-29(17-15-28)26-23-9-3-2-8-22(23)11-12-25-24(26)10-5-13-27-25/h2-10,13,18,26H,11-12,14-17,19H2,1H3
- InChIKey
- YHXXEMMDKAAHFN-UHFFFAOYSA-N
- Compound name
- 2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 384.24343 | 200.1 |
[M+Na]+ | 406.22537 | 204.8 |
[M-H]- | 382.22887 | 206.7 |
[M+NH4]+ | 401.26997 | 208.3 |
[M+K]+ | 422.19931 | 199.9 |
[M+H-H2O]+ | 366.23341 | 187.6 |
[M+HCOO]- | 428.23435 | 210.9 |
[M+CH3COO]- | 442.25000 | 206.5 |
[M+Na-2H]- | 404.21082 | 202.0 |
[M]+ | 383.23560 | 192.2 |
[M]- | 383.23670 | 192.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.