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]+ 310.15502 172.6
[M+Na]+ 332.13696 179.6
[M-H]- 308.14046 176.1
[M+NH4]+ 327.18156 185.8
[M+K]+ 348.11090 174.2
[M+H-H2O]+ 292.14500 163.5
[M+HCOO]- 354.14594 192.4
[M+CH3COO]- 368.16159 205.8
[M+Na-2H]- 330.12241 175.3
[M]+ 309.14719 173.2
[M]- 309.14829 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.