CID 218427

Nsc663624

Structural Information

Molecular Formula
C14H14N2O2
SMILES
COC1=CC=C(C2=CC=CC=C21)NC3=NCCO3
InChI
InChI=1S/C14H14N2O2/c1-17-13-7-6-12(16-14-15-8-9-18-14)10-4-2-3-5-11(10)13/h2-7H,8-9H2,1H3,(H,15,16)
InChIKey
USNWROZXFWKCEX-UHFFFAOYSA-N
Compound name
N-(4-methoxynaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.10553 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 151.9
[M+Na]+ 265.09475 160.0
[M-H]- 241.09825 159.1
[M+NH4]+ 260.13935 169.3
[M+K]+ 281.06869 157.5
[M+H-H2O]+ 225.10279 144.1
[M+HCOO]- 287.10373 174.8
[M+CH3COO]- 301.11938 164.9
[M+Na-2H]- 263.08020 159.2
[M]+ 242.10498 153.1
[M]- 242.10608 153.1
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.