CID 167465

Oxadimedine

Structural Information

Molecular Formula
C18H21N3O
SMILES
CN(C)CCN(CC1=CC=CC=C1)C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C18H21N3O/c1-20(2)12-13-21(14-15-8-4-3-5-9-15)18-19-16-10-6-7-11-17(16)22-18/h3-11H,12-14H2,1-2H3
InChIKey
FBJHSTREJLPCAT-UHFFFAOYSA-N
Compound name
N'-(1,3-benzoxazol-2-yl)-N'-benzyl-N,N-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

295.16846 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 170.6
[M+Na]+ 318.15768 177.2
[M-H]- 294.16118 180.1
[M+NH4]+ 313.20228 186.4
[M+K]+ 334.13162 175.6
[M+H-H2O]+ 278.16572 161.0
[M+HCOO]- 340.16666 196.6
[M+CH3COO]- 354.18231 183.0
[M+Na-2H]- 316.14313 177.2
[M]+ 295.16791 176.0
[M]- 295.16901 176.0
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.