CID 59275

1-naphthylamine, n-(5-amino-2-oxazolyl)-

Structural Information

Molecular Formula
C13H11N3O
SMILES
C1=CC=C2C(=C1)C=CC=C2NC3=NC=C(O3)N
InChI
InChI=1S/C13H11N3O/c14-12-8-15-13(17-12)16-11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,14H2,(H,15,16)
InChIKey
GRNQAURYARKQCV-UHFFFAOYSA-N
Compound name
2-N-naphthalen-1-yl-1,3-oxazole-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09021 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09749 145.7
[M+Na]+ 248.07943 155.5
[M-H]- 224.08293 153.3
[M+NH4]+ 243.12403 163.4
[M+K]+ 264.05337 151.9
[M+H-H2O]+ 208.08747 137.9
[M+HCOO]- 270.08841 172.0
[M+CH3COO]- 284.10406 159.5
[M+Na-2H]- 246.06488 155.1
[M]+ 225.08966 146.6
[M]- 225.09076 146.6
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.