CID 4068626
477333-90-7
Structural Information
- Molecular Formula
- C17H17NO3
- SMILES
- CC1=CC=C(C=C1)C(=O)CCNC2=CC3=C(C=C2)OCO3
- InChI
- InChI=1S/C17H17NO3/c1-12-2-4-13(5-3-12)15(19)8-9-18-14-6-7-16-17(10-14)21-11-20-16/h2-7,10,18H,8-9,11H2,1H3
- InChIKey
- QYMXSQLCOTZXFY-UHFFFAOYSA-N
- Compound name
- 3-(1,3-benzodioxol-5-ylamino)-1-(4-methylphenyl)propan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 284.12813 | 165.5 |
[M+Na]+ | 306.11007 | 172.2 |
[M-H]- | 282.11357 | 174.3 |
[M+NH4]+ | 301.15467 | 180.9 |
[M+K]+ | 322.08401 | 170.7 |
[M+H-H2O]+ | 266.11811 | 158.4 |
[M+HCOO]- | 328.11905 | 187.0 |
[M+CH3COO]- | 342.13470 | 202.6 |
[M+Na-2H]- | 304.09552 | 170.7 |
[M]+ | 283.12030 | 168.0 |
[M]- | 283.12140 | 168.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.