CID 16618075

2-[4-(morpholin-4-ylmethyl)phenyl]benzonitrile

Structural Information

Molecular Formula
C18H18N2O
SMILES
C1COCCN1CC2=CC=C(C=C2)C3=CC=CC=C3C#N
InChI
InChI=1S/C18H18N2O/c19-13-17-3-1-2-4-18(17)16-7-5-15(6-8-16)14-20-9-11-21-12-10-20/h1-8H,9-12,14H2
InChIKey
QCWCZJHLJHUGCU-UHFFFAOYSA-N
Compound name
2-[4-(morpholin-4-ylmethyl)phenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

278.1419 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.149176 165.4
[M+Na]+ 301.131118 173.4
[M-H]- 277.134624 171.1
[M+NH4]+ 296.175723 176.4
[M+K]+ 317.105058 166.9
[M+H-H2O]+ 261.139160 149.2
[M+HCOO]- 323.140101 180.0
[M+CH3COO]- 337.155751 174.4
[M+Na-2H]- 299.116566 169.3
[M]+ 278.14135142 157.0
[M]- 278.14244858 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.