CID 218360

Nsc664256

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC1=C(C2=CC=CC=C2C=C1)NC3=NCCO3
InChI
InChI=1S/C14H14N2O/c1-10-6-7-11-4-2-3-5-12(11)13(10)16-14-15-8-9-17-14/h2-7H,8-9H2,1H3,(H,15,16)
InChIKey
MJKOTIUTQZMRJL-UHFFFAOYSA-N
Compound name
N-(2-methylnaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.11061 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 149.0
[M+Na]+ 249.09983 157.2
[M-H]- 225.10333 156.2
[M+NH4]+ 244.14443 167.1
[M+K]+ 265.07377 154.2
[M+H-H2O]+ 209.10787 141.3
[M+HCOO]- 271.10881 171.7
[M+CH3COO]- 285.12446 162.1
[M+Na-2H]- 247.08528 156.2
[M]+ 226.11006 148.8
[M]- 226.11116 148.8
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.