CID 491522

N-[(4-chlorophenyl)methyl]-(morpholinomethyl)-oxo-tetrahydropyran-4-yl-[?]carboxamide

Structural Information

Molecular Formula
C29H32ClN3O5
SMILES
C1COCCC1C2CN3C=C(C(=O)C4=C3C(=CC(=C4)CN5CCOCC5)O2)C(=O)NCC6=CC=C(C=C6)Cl
InChI
InChI=1S/C29H32ClN3O5/c30-22-3-1-19(2-4-22)15-31-29(35)24-17-33-18-26(21-5-9-36-10-6-21)38-25-14-20(13-23(27(25)33)28(24)34)16-32-7-11-37-12-8-32/h1-4,13-14,17,21,26H,5-12,15-16,18H2,(H,31,35)
InChIKey
ICADLNVBCREXIE-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-7-(morpholin-4-ylmethyl)-3-(oxan-4-yl)-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

0
Patents

537.20306 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.21034 231.0
[M+Na]+ 560.19228 232.9
[M-H]- 536.19578 240.5
[M+NH4]+ 555.23688 230.3
[M+K]+ 576.16622 230.1
[M+H-H2O]+ 520.20032 216.3
[M+HCOO]- 582.20126 231.1
[M+CH3COO]- 596.21691 234.5
[M+Na-2H]- 558.17773 229.5
[M]+ 537.20251 229.2
[M]- 537.20361 229.2
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

No patent data available for this compound.