CID 15584
Brn 2702835
Structural Information
- Molecular Formula
- C18H21NO3
- SMILES
- CC1=C(C(=C(C=C1)C(C)C)OC)C(=O)OC2=CC=C(C=C2)N
- InChI
- InChI=1S/C18H21NO3/c1-11(2)15-10-5-12(3)16(17(15)21-4)18(20)22-14-8-6-13(19)7-9-14/h5-11H,19H2,1-4H3
- InChIKey
- BGGCPNPIIICMLD-UHFFFAOYSA-N
- Compound name
- (4-aminophenyl) 2-methoxy-6-methyl-3-propan-2-ylbenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 300.15941 | 171.2 |
[M+Na]+ | 322.14135 | 178.5 |
[M-H]- | 298.14485 | 178.0 |
[M+NH4]+ | 317.18595 | 186.3 |
[M+K]+ | 338.11529 | 175.8 |
[M+H-H2O]+ | 282.14939 | 163.3 |
[M+HCOO]- | 344.15033 | 193.5 |
[M+CH3COO]- | 358.16598 | 209.5 |
[M+Na-2H]- | 320.12680 | 171.2 |
[M]+ | 299.15158 | 173.9 |
[M]- | 299.15268 | 173.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.