CID 449013

Fr-234938

Structural Information

Molecular Formula
C19H21N3O2
SMILES
C[C@@H]([C@@H](CCC1=CC=CC2=CC=CC=C21)N3C=C(N=C3)C(=O)N)O
InChI
InChI=1S/C19H21N3O2/c1-13(23)18(22-11-17(19(20)24)21-12-22)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,18,23H,9-10H2,1H3,(H2,20,24)/t13-,18+/m0/s1
InChIKey
OODDZQQDDOVCFD-SCLBCKFNSA-N
Compound name
1-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

12
Patents

323.1634 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 177.4
[M+Na]+ 346.15262 183.6
[M-H]- 322.15612 180.8
[M+NH4]+ 341.19722 190.0
[M+K]+ 362.12656 178.6
[M+H-H2O]+ 306.16066 168.3
[M+HCOO]- 368.16160 195.9
[M+CH3COO]- 382.17725 209.7
[M+Na-2H]- 344.13807 178.5
[M]+ 323.16285 177.8
[M]- 323.16395 177.8
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