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]+ 277.165906 157.5
[M+Na]+ 299.147848 161.4
[M-H]- 275.151354 159.1
[M+NH4]+ 294.192453 162.6
[M+K]+ 315.121788 161.2
[M+H-H2O]+ 259.155890 152.5
[M+HCOO]- 321.156831 165.6
[M+CH3COO]- 335.172481 229.4
[M+Na-2H]- 297.133296 157.9
[M]+ 276.15808142 155.5
[M]- 276.15917858 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.