CID 10356088

675126-28-0

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

38
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 166.5
[M+Na]+ 299.13662 178.0
[M+NH4]+ 294.18122 170.2
[M+K]+ 315.11056 168.3
[M-H]- 275.14012 163.0
[M+Na-2H]- 297.12207 169.3
[M]+ 276.14685 166.2
[M]- 276.14795 166.2
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