CID 3071653

1h-imidazole-4-acetamide, n-(2-(7-methoxy-1-naphthalenyl)ethyl)-

Structural Information

Molecular Formula
C18H19N3O2
SMILES
COC1=CC2=C(C=CC=C2CCNC(=O)CC3=CN=CN3)C=C1
InChI
InChI=1S/C18H19N3O2/c1-23-16-6-5-13-3-2-4-14(17(13)10-16)7-8-20-18(22)9-15-11-19-12-21-15/h2-6,10-12H,7-9H2,1H3,(H,19,21)(H,20,22)
InChIKey
NINQVSREDUVPLD-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-5-yl)-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

309.14774 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15502 173.3
[M+Na]+ 332.13696 186.5
[M+NH4]+ 327.18156 180.2
[M+K]+ 348.11090 180.8
[M-H]- 308.14046 176.4
[M+Na-2H]- 330.12241 180.7
[M]+ 309.14719 175.9
[M]- 309.14829 175.9
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