CID 53736

Nsc664190

Structural Information

Molecular Formula
C15H20N2O
SMILES
CC1=CC(=C2CCCCC2=C1C)NC3=NCCO3
InChI
InChI=1S/C15H20N2O/c1-10-9-14(17-15-16-7-8-18-15)13-6-4-3-5-12(13)11(10)2/h9H,3-8H2,1-2H3,(H,16,17)
InChIKey
GTUOHYYXUFZLSU-UHFFFAOYSA-N
Compound name
N-(3,4-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

244.15756 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 157.4
[M+Na]+ 267.14678 170.0
[M+NH4]+ 262.19138 166.8
[M+K]+ 283.12072 164.5
[M-H]- 243.15028 163.6
[M+Na-2H]- 265.13223 163.3
[M]+ 244.15701 160.9
[M]- 244.15811 160.9
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

patents stripe