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

compound 2d structure
1
Annotation Hits

0
References

7
Patents

483.1561 Da
Monoisotopic Mass

2.4
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe