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]+ 279.14918 165.4
[M+Na]+ 301.13112 173.4
[M-H]- 277.13462 171.1
[M+NH4]+ 296.17572 176.4
[M+K]+ 317.10506 166.9
[M+H-H2O]+ 261.13916 149.2
[M+HCOO]- 323.14010 180.0
[M+CH3COO]- 337.15575 174.4
[M+Na-2H]- 299.11657 169.3
[M]+ 278.14135 157.0
[M]- 278.14245 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.