CID 10356088

4-methoxy-3-(3-morpholinopropoxy)benzonitrile

Structural Information

Molecular Formula
C15H20N2O3
SMILES
COC1=C(C=C(C=C1)C#N)OCCCN2CCOCC2
InChI
InChI=1S/C15H20N2O3/c1-18-14-4-3-13(12-16)11-15(14)20-8-2-5-17-6-9-19-10-7-17/h3-4,11H,2,5-10H2,1H3
InChIKey
QHDDZVCFDZBTCM-UHFFFAOYSA-N
Compound name
4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

276.1474 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.154676 158.4
[M+Na]+ 299.136618 165.8
[M-H]- 275.140124 162.0
[M+NH4]+ 294.181223 170.1
[M+K]+ 315.110558 162.9
[M+H-H2O]+ 259.144660 143.2
[M+HCOO]- 321.145601 173.4
[M+CH3COO]- 335.161251 208.7
[M+Na-2H]- 297.122066 162.5
[M]+ 276.14685142 154.4
[M]- 276.14794858 154.4
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

patents stripe