CID 71437939

Dtxsid101179708

Structural Information

Molecular Formula
C16H20N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=CN2CCOCC2)C#N
InChI
InChI=1S/C16H20N2O4/c1-19-14-8-12(9-15(20-2)16(14)21-3)13(10-17)11-18-4-6-22-7-5-18/h8-9,11H,4-7H2,1-3H3
InChIKey
ZLDUHAWGSJRXRZ-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-2-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1423 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.149576 166.0
[M+Na]+ 327.131518 173.7
[M-H]- 303.135024 169.9
[M+NH4]+ 322.176123 176.8
[M+K]+ 343.105458 171.3
[M+H-H2O]+ 287.139560 150.9
[M+HCOO]- 349.140501 180.2
[M+CH3COO]- 363.156151 214.0
[M+Na-2H]- 325.116966 167.9
[M]+ 304.14175142 162.7
[M]- 304.14284858 162.7
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.