CID 3072797
144109-18-2
Structural Information
- Molecular Formula
- C22H21N3O
- SMILES
- C1C2C3=CC=CN3C4=CC=CC=C4CN2C(=O)CN1CC5=CC=CC=C5
- InChI
- InChI=1S/C22H21N3O/c26-22-16-23(13-17-7-2-1-3-8-17)15-21-20-11-6-12-24(20)19-10-5-4-9-18(19)14-25(21)22/h1-12,21H,13-16H2
- InChIKey
- UUPRGXQIFIQECJ-UHFFFAOYSA-N
- Compound name
- 9-benzyl-2,9,12-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,14,16-pentaen-11-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 344.17574 | 185.0 |
[M+Na]+ | 366.15768 | 192.6 |
[M-H]- | 342.16118 | 191.2 |
[M+NH4]+ | 361.20228 | 198.0 |
[M+K]+ | 382.13162 | 187.8 |
[M+H-H2O]+ | 326.16572 | 174.8 |
[M+HCOO]- | 388.16666 | 198.4 |
[M+CH3COO]- | 402.18231 | 193.7 |
[M+Na-2H]- | 364.14313 | 187.6 |
[M]+ | 343.16791 | 180.3 |
[M]- | 343.16901 | 180.3 |
Literature stripe
Patent stripe
No patent data available for this compound.