CID 2458020
1h-indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, (3-methylphenyl)methyl ester
Structural Information
- Molecular Formula
- C27H24ClNO4
- SMILES
- CC1=CC(=CC=C1)COC(=O)CC2=C(N(C3=C2C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl)C
- InChI
- InChI=1S/C27H24ClNO4/c1-17-5-4-6-19(13-17)16-33-26(30)15-23-18(2)29(25-12-11-22(32-3)14-24(23)25)27(31)20-7-9-21(28)10-8-20/h4-14H,15-16H2,1-3H3
- InChIKey
- YHAGVEZRRWWRQG-UHFFFAOYSA-N
- Compound name
- (3-methylphenyl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 462.14665 | 212.9 |
[M+Na]+ | 484.12859 | 222.7 |
[M-H]- | 460.13209 | 223.1 |
[M+NH4]+ | 479.17319 | 223.8 |
[M+K]+ | 500.10253 | 216.1 |
[M+H-H2O]+ | 444.13663 | 203.2 |
[M+HCOO]- | 506.13757 | 229.0 |
[M+CH3COO]- | 520.15322 | 234.0 |
[M+Na-2H]- | 482.11404 | 210.5 |
[M]+ | 461.13882 | 222.7 |
[M]- | 461.13992 | 222.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.