CID 15957864
(2s)-2,6-bis[[(e)-3-(3,4,5-trihydroxyphenyl)prop-2-enoyl]amino]hexanoic acid
Structural Information
- Molecular Formula
- C24H26N2O10
- SMILES
- C1=C(C=C(C(=C1O)O)O)/C=C/C(=O)NCCCC[C@@H](C(=O)O)NC(=O)/C=C/C2=CC(=C(C(=C2)O)O)O
- InChI
- InChI=1S/C24H26N2O10/c27-16-9-13(10-17(28)22(16)33)4-6-20(31)25-8-2-1-3-15(24(35)36)26-21(32)7-5-14-11-18(29)23(34)19(30)12-14/h4-7,9-12,15,27-30,33-34H,1-3,8H2,(H,25,31)(H,26,32)(H,35,36)/b6-4+,7-5+/t15-/m0/s1
- InChIKey
- SHJXVFUUVQDICX-ZLCKBDOSSA-N
- Compound name
- (2S)-2,6-bis[[(E)-3-(3,4,5-trihydroxyphenyl)prop-2-enoyl]amino]hexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 503.16603 | 214.0 |
[M+Na]+ | 525.14797 | 214.6 |
[M-H]- | 501.15147 | 211.1 |
[M+NH4]+ | 520.19257 | 214.7 |
[M+K]+ | 541.12191 | 211.8 |
[M+H-H2O]+ | 485.15601 | 205.0 |
[M+HCOO]- | 547.15695 | 224.8 |
[M+CH3COO]- | 561.17260 | 236.7 |
[M+Na-2H]- | 523.13342 | 207.0 |
[M]+ | 502.15820 | 212.5 |
[M]- | 502.15930 | 212.5 |
Literature stripe
Patent stripe
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