CID 10926929
908145-87-9
Structural Information
- Molecular Formula
- C20H27NO6
- SMILES
- CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCCC=O
- InChI
- InChI=1S/C20H27NO6/c1-3-26-18(23)13-12-17(20(25)27-4-2)21-19(24)16-10-8-15(9-11-16)7-5-6-14-22/h8-11,14,17H,3-7,12-13H2,1-2H3,(H,21,24)/t17-/m0/s1
- InChIKey
- ZQIWUAMQMRFJEB-KRWDZBQOSA-N
- Compound name
- diethyl (2S)-2-[[4-(4-oxobutyl)benzoyl]amino]pentanedioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 378.19112 | 191.6 |
[M+Na]+ | 400.17306 | 194.0 |
[M-H]- | 376.17656 | 193.6 |
[M+NH4]+ | 395.21766 | 202.6 |
[M+K]+ | 416.14700 | 192.7 |
[M+H-H2O]+ | 360.18110 | 183.1 |
[M+HCOO]- | 422.18204 | 211.5 |
[M+CH3COO]- | 436.19769 | 220.8 |
[M+Na-2H]- | 398.15851 | 189.0 |
[M]+ | 377.18329 | 198.1 |
[M]- | 377.18439 | 198.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.