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
2
Annotation Hits

7
References

20
Patents

280.13242 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.139696 162.4
[M+Na]+ 303.121638 168.8
[M-H]- 279.125144 165.9
[M+NH4]+ 298.166243 176.4
[M+K]+ 319.095578 163.2
[M+H-H2O]+ 263.129680 153.4
[M+HCOO]- 325.130621 183.9
[M+CH3COO]- 339.146271 172.8
[M+Na-2H]- 301.107086 167.8
[M]+ 280.13187142 159.9
[M]- 280.13296858 159.9
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