CID 447341

Fr230513

Structural Information

Molecular Formula
C18H19N3O2
SMILES
C1=CC=C2C(=C1)C=CC=C2CC[C@H](CO)N3C=C(N=C3)C(=O)N
InChI
InChI=1S/C18H19N3O2/c19-18(23)17-10-21(12-20-17)15(11-22)9-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10,12,15,22H,8-9,11H2,(H2,19,23)/t15-/m1/s1
InChIKey
URGFTPMACWKJKU-OAHLLOKOSA-N
Compound name
1-[(2R)-1-hydroxy-4-naphthalen-1-ylbutan-2-yl]imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

309.14774 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.155016 172.6
[M+Na]+ 332.136958 179.6
[M-H]- 308.140464 176.1
[M+NH4]+ 327.181563 185.8
[M+K]+ 348.110898 174.2
[M+H-H2O]+ 292.145000 163.5
[M+HCOO]- 354.145941 192.4
[M+CH3COO]- 368.161591 205.8
[M+Na-2H]- 330.122406 175.3
[M]+ 309.14719142 173.2
[M]- 309.14828858 173.2
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

No patent data available for this compound.