CID 58536

2-imidazoline, 2-((4-chloro-2,3,5-trimethylphenoxy)methyl)-

Structural Information

Molecular Formula
C13H17ClN2O
SMILES
CC1=CC(=C(C(=C1Cl)C)C)OCC2=NCCN2
InChI
InChI=1S/C13H17ClN2O/c1-8-6-11(9(2)10(3)13(8)14)17-7-12-15-4-5-16-12/h6H,4-5,7H2,1-3H3,(H,15,16)
InChIKey
QSDKQDBAWOUCDL-UHFFFAOYSA-N
Compound name
2-[(4-chloro-2,3,5-trimethylphenoxy)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.10294 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.110216 157.3
[M+Na]+ 275.092158 167.3
[M-H]- 251.095664 160.4
[M+NH4]+ 270.136763 174.4
[M+K]+ 291.066098 161.6
[M+H-H2O]+ 235.100200 150.1
[M+HCOO]- 297.101141 172.7
[M+CH3COO]- 311.116791 192.4
[M+Na-2H]- 273.077606 158.4
[M]+ 252.10239142 159.4
[M]- 252.10348858 159.4
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.