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]+ 226.097486 145.7
[M+Na]+ 248.079428 155.5
[M-H]- 224.082934 153.3
[M+NH4]+ 243.124033 163.4
[M+K]+ 264.053368 151.9
[M+H-H2O]+ 208.087470 137.9
[M+HCOO]- 270.088411 172.0
[M+CH3COO]- 284.104061 159.5
[M+Na-2H]- 246.064876 155.1
[M]+ 225.08966142 146.6
[M]- 225.09075858 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.