CID 449015

1-{(1r,2s)-2-hydroxy-1-[2-(2-naphthyloxy)ethyl]propyl}-1h-imidazone-4-carboxamide

Structural Information

Molecular Formula
C19H21N3O3
SMILES
C[C@@H]([C@@H](CCOC1=CC2=CC=CC=C2C=C1)N3C=C(N=C3)C(=O)N)O
InChI
InChI=1S/C19H21N3O3/c1-13(23)18(22-11-17(19(20)24)21-12-22)8-9-25-16-7-6-14-4-2-3-5-15(14)10-16/h2-7,10-13,18,23H,8-9H2,1H3,(H2,20,24)/t13-,18+/m0/s1
InChIKey
UYAJDVNLQJVRHD-SCLBCKFNSA-N
Compound name
1-[(3R,4S)-4-hydroxy-1-naphthalen-2-yloxypentan-3-yl]imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

339.1583 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.16558 180.0
[M+Na]+ 362.14752 185.9
[M-H]- 338.15102 183.4
[M+NH4]+ 357.19212 191.8
[M+K]+ 378.12146 181.7
[M+H-H2O]+ 322.15556 170.7
[M+HCOO]- 384.15650 198.6
[M+CH3COO]- 398.17215 211.8
[M+Na-2H]- 360.13297 181.2
[M]+ 339.15775 181.7
[M]- 339.15885 181.7
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

patents stripe