CID 491499
N-[(4-chlorophenyl)methyl]-(hydroxymethyl)-(morpholinomethyl)-oxo-[?]carboxamide
Structural Information
- Molecular Formula
- C25H26ClN3O5
- SMILES
- C1COCCN1CC2=CC3=C4C(=C2)OC(CN4C=C(C3=O)C(=O)NCC5=CC=C(C=C5)Cl)CO
- InChI
- InChI=1S/C25H26ClN3O5/c26-18-3-1-16(2-4-18)11-27-25(32)21-14-29-13-19(15-30)34-22-10-17(9-20(23(22)29)24(21)31)12-28-5-7-33-8-6-28/h1-4,9-10,14,19,30H,5-8,11-13,15H2,(H,27,32)
- InChIKey
- CJTITYOPCDROQY-UHFFFAOYSA-N
- Compound name
- N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)-7-(morpholin-4-ylmethyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 484.16338 | 215.9 |
[M+Na]+ | 506.14532 | 220.8 |
[M-H]- | 482.14882 | 222.4 |
[M+NH4]+ | 501.18992 | 219.2 |
[M+K]+ | 522.11926 | 216.8 |
[M+H-H2O]+ | 466.15336 | 203.7 |
[M+HCOO]- | 528.15430 | 220.2 |
[M+CH3COO]- | 542.16995 | 221.6 |
[M+Na-2H]- | 504.13077 | 217.3 |
[M]+ | 483.15555 | 217.6 |
[M]- | 483.15665 | 217.6 |
Literature stripe
No literature data available for this compound.