CID 379569

Nsc664255

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)NC3=NCCO3
InChI
InChI=1S/C15H16N2O2/c1-2-18-13-8-7-11-5-3-4-6-12(11)14(13)17-15-16-9-10-19-15/h3-8H,2,9-10H2,1H3,(H,16,17)
InChIKey
VNZRSIDFGDZTFD-UHFFFAOYSA-N
Compound name
N-(2-ethoxynaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1212 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 156.6
[M+Na]+ 279.11042 164.2
[M-H]- 255.11392 163.6
[M+NH4]+ 274.15502 173.4
[M+K]+ 295.08436 161.5
[M+H-H2O]+ 239.11846 148.5
[M+HCOO]- 301.11940 179.1
[M+CH3COO]- 315.13505 169.1
[M+Na-2H]- 277.09587 163.3
[M]+ 256.12065 158.1
[M]- 256.12175 158.1
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.