CID 3055633

1h-imidazole, 4,5-dihydro-2-((2,3,5,6-tetramethylphenoxy)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H20N2O
SMILES
CC1=CC(=C(C(=C1C)OCC2=NCCN2)C)C
InChI
InChI=1S/C14H20N2O/c1-9-7-10(2)12(4)14(11(9)3)17-8-13-15-5-6-16-13/h7H,5-6,8H2,1-4H3,(H,15,16)
InChIKey
RWRQBVNMXJNZDN-UHFFFAOYSA-N
Compound name
2-[(2,3,5,6-tetramethylphenoxy)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.15756 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.164836 155.0
[M+Na]+ 255.146778 163.9
[M-H]- 231.150284 158.2
[M+NH4]+ 250.191383 172.2
[M+K]+ 271.120718 159.7
[M+H-H2O]+ 215.154820 147.4
[M+HCOO]- 277.155761 174.8
[M+CH3COO]- 291.171411 191.6
[M+Na-2H]- 253.132226 156.1
[M]+ 232.15701142 155.6
[M]- 232.15810858 155.6
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.