CID 2437295

2-cyano-n-[4-(morpholin-4-yl)phenyl]acetamide

Structural Information

Molecular Formula
C13H15N3O2
SMILES
C1COCCN1C2=CC=C(C=C2)NC(=O)CC#N
InChI
InChI=1S/C13H15N3O2/c14-6-5-13(17)15-11-1-3-12(4-2-11)16-7-9-18-10-8-16/h1-4H,5,7-10H2,(H,15,17)
InChIKey
ZHVLIQVUAGHPCA-UHFFFAOYSA-N
Compound name
2-cyano-N-(4-morpholin-4-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

245.11642 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.123696 155.1
[M+Na]+ 268.105638 161.6
[M-H]- 244.109144 158.6
[M+NH4]+ 263.150243 167.1
[M+K]+ 284.079578 158.5
[M+H-H2O]+ 228.113680 139.9
[M+HCOO]- 290.114621 170.5
[M+CH3COO]- 304.130271 204.4
[M+Na-2H]- 266.091086 159.5
[M]+ 245.11587142 146.7
[M]- 245.11696858 146.7
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.