CID 393849
Nsc696776
Structural Information
- Molecular Formula
- C18H18N4O2
- SMILES
- CC1=CC=C(C=C1)NC(=O)C2=C(C(=C3N2CCC3)C#N)NC(=O)C
- InChI
- InChI=1S/C18H18N4O2/c1-11-5-7-13(8-6-11)21-18(24)17-16(20-12(2)23)14(10-19)15-4-3-9-22(15)17/h5-8H,3-4,9H2,1-2H3,(H,20,23)(H,21,24)
- InChIKey
- XLLAJOBENNQGDF-UHFFFAOYSA-N
- Compound name
- 2-acetamido-1-cyano-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 323.15025 | 182.2 |
[M+Na]+ | 345.13219 | 191.0 |
[M-H]- | 321.13569 | 187.1 |
[M+NH4]+ | 340.17679 | 197.0 |
[M+K]+ | 361.10613 | 184.6 |
[M+H-H2O]+ | 305.14023 | 167.6 |
[M+HCOO]- | 367.14117 | 200.5 |
[M+CH3COO]- | 381.15682 | 222.3 |
[M+Na-2H]- | 343.11764 | 180.5 |
[M]+ | 322.14242 | 176.8 |
[M]- | 322.14352 | 176.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.