CID 4328525
355429-74-2
Structural Information
- Molecular Formula
- C31H31NO3
- SMILES
- CCCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OC(C)C(=O)C4=CC=C(C=C4)C
- InChI
- InChI=1S/C31H31NO3/c1-5-6-7-23-11-15-24(16-12-23)29-19-27(26-18-21(3)10-17-28(26)32-29)31(34)35-22(4)30(33)25-13-8-20(2)9-14-25/h8-19,22H,5-7H2,1-4H3
- InChIKey
- FCPFOBTZFOATTJ-UHFFFAOYSA-N
- Compound name
- [1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(4-butylphenyl)-6-methylquinoline-4-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 466.23768 | 219.5 |
[M+Na]+ | 488.21962 | 224.5 |
[M-H]- | 464.22312 | 227.7 |
[M+NH4]+ | 483.26422 | 226.4 |
[M+K]+ | 504.19356 | 218.3 |
[M+H-H2O]+ | 448.22766 | 207.2 |
[M+HCOO]- | 510.22860 | 234.9 |
[M+CH3COO]- | 524.24425 | 240.9 |
[M+Na-2H]- | 486.20507 | 216.7 |
[M]+ | 465.22985 | 223.1 |
[M]- | 465.23095 | 223.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.