CID 41550

55709-93-8

Structural Information

Molecular Formula
C17H26N2O
SMILES
CCC1(C2=CC=CC=C2OC(=N1)CN(CC)CC)CC
InChI
InChI=1S/C17H26N2O/c1-5-17(6-2)14-11-9-10-12-15(14)20-16(18-17)13-19(7-3)8-4/h9-12H,5-8,13H2,1-4H3
InChIKey
FUBZGNBUBQGRQV-UHFFFAOYSA-N
Compound name
N-[(4,4-diethyl-1,3-benzoxazin-2-yl)methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

274.2045 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.211776 168.0
[M+Na]+ 297.193718 174.6
[M-H]- 273.197224 172.6
[M+NH4]+ 292.238323 185.4
[M+K]+ 313.167658 173.2
[M+H-H2O]+ 257.201760 160.0
[M+HCOO]- 319.202701 187.8
[M+CH3COO]- 333.218351 207.9
[M+Na-2H]- 295.179166 174.2
[M]+ 274.20395142 172.2
[M]- 274.20504858 172.2
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