CID 3052307

Urea, n-(2,6-dimethylphenyl)-n'-(3,4,7,8-tetrahydro-2h-1,4,6-oxadiazocin-5-yl)-, monohydrochloride

Structural Information

Molecular Formula
C14H20N4O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)NC2=NCCOCCN2
InChI
InChI=1S/C14H20N4O2/c1-10-4-3-5-11(2)12(10)17-14(19)18-13-15-6-8-20-9-7-16-13/h3-5H,6-9H2,1-2H3,(H3,15,16,17,18,19)
InChIKey
XPJOQTQKHHSKGN-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-(3,4,7,8-tetrahydro-2H-1,4,6-oxadiazocin-5-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.15863 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16591 157.5
[M+Na]+ 299.14785 161.4
[M-H]- 275.15135 159.1
[M+NH4]+ 294.19245 162.6
[M+K]+ 315.12179 161.2
[M+H-H2O]+ 259.15589 152.5
[M+HCOO]- 321.15683 165.6
[M+CH3COO]- 335.17248 229.4
[M+Na-2H]- 297.13330 157.9
[M]+ 276.15808 155.5
[M]- 276.15918 155.5
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.