CID 3051956

68182-89-8

Structural Information

Molecular Formula
C21H26N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)N(CC2=CC=CC=C2)C(=O)N3CCOCC3
InChI
InChI=1S/C21H26N2O5/c1-25-18-13-17(14-19(26-2)20(18)27-3)23(15-16-7-5-4-6-8-16)21(24)22-9-11-28-12-10-22/h4-8,13-14H,9-12,15H2,1-3H3
InChIKey
XSTMUEUUOQPKEJ-UHFFFAOYSA-N
Compound name
N-benzyl-N-(3,4,5-trimethoxyphenyl)morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.18417 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.19145 193.0
[M+Na]+ 409.17339 196.3
[M-H]- 385.17689 202.3
[M+NH4]+ 404.21799 201.3
[M+K]+ 425.14733 196.2
[M+H-H2O]+ 369.18143 181.6
[M+HCOO]- 431.18237 211.3
[M+CH3COO]- 445.19802 223.7
[M+Na-2H]- 407.15884 194.1
[M]+ 386.18362 195.9
[M]- 386.18472 195.9
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.