CID 174104
4,4'-imidocarbonyl bis(n,n-diethylaniline) acetate
Structural Information
- Molecular Formula
- C25H33N3O4
- SMILES
- CCC1=C(C(=C(C=C1)C(=N)C2=C(C(=C(C=C2)CC)CC)NCC(=O)O)NCC(=O)O)CC
- InChI
- InChI=1S/C25H33N3O4/c1-5-15-9-11-19(24(17(15)7-3)27-13-21(29)30)23(26)20-12-10-16(6-2)18(8-4)25(20)28-14-22(31)32/h9-12,26-28H,5-8,13-14H2,1-4H3,(H,29,30)(H,31,32)
- InChIKey
- CIPWWHUUZVLZCF-UHFFFAOYSA-N
- Compound name
- 2-[6-[2-(carboxymethylamino)-3,4-diethylbenzenecarboximidoyl]-2,3-diethylanilino]acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 440.25438 | 210.7 |
[M+Na]+ | 462.23632 | 213.6 |
[M-H]- | 438.23982 | 214.3 |
[M+NH4]+ | 457.28092 | 217.9 |
[M+K]+ | 478.21026 | 209.1 |
[M+H-H2O]+ | 422.24436 | 201.5 |
[M+HCOO]- | 484.24530 | 229.4 |
[M+CH3COO]- | 498.26095 | 242.3 |
[M+Na-2H]- | 460.22177 | 205.6 |
[M]+ | 439.24655 | 211.8 |
[M]- | 439.24765 | 211.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.