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]+ 253.11022 157.3
[M+Na]+ 275.09216 167.3
[M-H]- 251.09566 160.4
[M+NH4]+ 270.13676 174.4
[M+K]+ 291.06610 161.6
[M+H-H2O]+ 235.10020 150.1
[M+HCOO]- 297.10114 172.7
[M+CH3COO]- 311.11679 192.4
[M+Na-2H]- 273.07761 158.4
[M]+ 252.10239 159.4
[M]- 252.10349 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.