CID 30685

2-(2,6-diethylanilino)-2-oxazoline

Structural Information

Molecular Formula
C13H18N2O
SMILES
CCC1=C(C(=CC=C1)CC)NC2=NCCO2
InChI
InChI=1S/C13H18N2O/c1-3-10-6-5-7-11(4-2)12(10)15-13-14-8-9-16-13/h5-7H,3-4,8-9H2,1-2H3,(H,14,15)
InChIKey
XCCYBZIZVOJGCL-UHFFFAOYSA-N
Compound name
N-(2,6-diethylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

218.1419 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 150.4
[M+Na]+ 241.13112 157.5
[M-H]- 217.13462 156.4
[M+NH4]+ 236.17572 168.0
[M+K]+ 257.10506 155.5
[M+H-H2O]+ 201.13916 142.8
[M+HCOO]- 263.14010 173.5
[M+CH3COO]- 277.15575 190.3
[M+Na-2H]- 239.11657 155.2
[M]+ 218.14135 151.0
[M]- 218.14245 151.0
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

patents stripe