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

39
Patents

276.1474 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15468 158.4
[M+Na]+ 299.13662 165.8
[M-H]- 275.14012 162.0
[M+NH4]+ 294.18122 170.1
[M+K]+ 315.11056 162.9
[M+H-H2O]+ 259.14466 143.2
[M+HCOO]- 321.14560 173.4
[M+CH3COO]- 335.16125 208.7
[M+Na-2H]- 297.12207 162.5
[M]+ 276.14685 154.4
[M]- 276.14795 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