CID 58548

2-(beta-thymoxyethylamino)-2-imidazoline hydrochloride

Structural Information

Molecular Formula
C15H23N3O
SMILES
CC1=CC(=C(C=C1)C(C)C)OCCNC2=NCCN2
InChI
InChI=1S/C15H23N3O/c1-11(2)13-5-4-12(3)10-14(13)19-9-8-18-15-16-6-7-17-15/h4-5,10-11H,6-9H2,1-3H3,(H2,16,17,18)
InChIKey
PHRNFOLMYWGHTE-UHFFFAOYSA-N
Compound name
N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-4,5-dihydro-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1841 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.19138 163.8
[M+Na]+ 284.17332 169.2
[M-H]- 260.17682 166.2
[M+NH4]+ 279.21792 178.8
[M+K]+ 300.14726 165.3
[M+H-H2O]+ 244.18136 155.0
[M+HCOO]- 306.18230 183.4
[M+CH3COO]- 320.19795 197.4
[M+Na-2H]- 282.15877 165.2
[M]+ 261.18355 162.6
[M]- 261.18465 162.6
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.