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

7
Patents

309.14774 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.155016 171.9
[M+Na]+ 332.136958 179.4
[M-H]- 308.140464 175.8
[M+NH4]+ 327.181563 185.6
[M+K]+ 348.110898 173.7
[M+H-H2O]+ 292.145000 162.6
[M+HCOO]- 354.145941 193.4
[M+CH3COO]- 368.161591 204.8
[M+Na-2H]- 330.122406 176.8
[M]+ 309.14719142 174.0
[M]- 309.14828858 174.0
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