CID 688489

7424-15-9

Structural Information

Molecular Formula
C16H16N4O
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CC3=CN=CN3)N
InChI
InChI=1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKey
DKDILZBBFKZMRO-HNNXBMFYSA-N
Compound name
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

280.13242 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13970 164.1
[M+Na]+ 303.12164 175.8
[M+NH4]+ 298.16624 171.1
[M+K]+ 319.09558 171.4
[M-H]- 279.12514 167.6
[M+Na-2H]- 301.10709 171.7
[M]+ 280.13187 166.5
[M]- 280.13297 166.5
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

patents stripe