CID 45313
Ethylcolchaminone
Structural Information
- Molecular Formula
- C23H28N2O5
- SMILES
- CCNC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C
- InChI
- InChI=1S/C23H28N2O5/c1-6-24-18-10-8-15-16(12-19(18)27)17(25-13(2)26)9-7-14-11-20(28-3)22(29-4)23(30-5)21(14)15/h8,10-12,17H,6-7,9H2,1-5H3,(H,24,27)(H,25,26)
- InChIKey
- CPLZXOXDQRKDNH-UHFFFAOYSA-N
- Compound name
- N-[10-(ethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 413.20711 | 200.2 |
[M+Na]+ | 435.18905 | 207.2 |
[M-H]- | 411.19255 | 208.7 |
[M+NH4]+ | 430.23365 | 211.5 |
[M+K]+ | 451.16299 | 211.6 |
[M+H-H2O]+ | 395.19709 | 196.3 |
[M+HCOO]- | 457.19803 | 217.7 |
[M+CH3COO]- | 471.21368 | 236.3 |
[M+Na-2H]- | 433.17450 | 200.6 |
[M]+ | 412.19928 | 201.6 |
[M]- | 412.20038 | 201.6 |
Literature stripe
Patent stripe
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