CID 3053443

Brn 1176872

Structural Information

Molecular Formula
C19H26N2O7
SMILES
COC1=C(C(=C(C=C1C(=O)N2CCOCC2)C(=O)N3CCOCC3)OC)OC
InChI
InChI=1S/C19H26N2O7/c1-24-15-13(18(22)20-4-8-27-9-5-20)12-14(16(25-2)17(15)26-3)19(23)21-6-10-28-11-7-21/h12H,4-11H2,1-3H3
InChIKey
HQSWFOZLVPYUTL-UHFFFAOYSA-N
Compound name
morpholin-4-yl-[2,3,4-trimethoxy-5-(morpholine-4-carbonyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.174 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.18128 192.7
[M+Na]+ 417.16322 195.4
[M-H]- 393.16672 199.6
[M+NH4]+ 412.20782 197.5
[M+K]+ 433.13716 196.9
[M+H-H2O]+ 377.17126 181.7
[M+HCOO]- 439.17220 203.2
[M+CH3COO]- 453.18785 220.0
[M+Na-2H]- 415.14867 191.3
[M]+ 394.17345 193.4
[M]- 394.17455 193.4
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.