CID 3055603

Phenol, 4-((4,5-dihydro-1h-imidazol-2-yl)methyl)-2,3,5,6-tetramethyl-, monohydrochloride

Structural Information

Molecular Formula
C14H20N2O
SMILES
CC1=C(C(=C(C(=C1CC2=NCCN2)C)C)O)C
InChI
InChI=1S/C14H20N2O/c1-8-10(3)14(17)11(4)9(2)12(8)7-13-15-5-6-16-13/h17H,5-7H2,1-4H3,(H,15,16)
InChIKey
KAHSAZNMQSAIHS-UHFFFAOYSA-N
Compound name
4-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,3,5,6-tetramethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.15756 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 155.6
[M+Na]+ 255.14678 164.9
[M-H]- 231.15028 157.9
[M+NH4]+ 250.19138 172.3
[M+K]+ 271.12072 159.9
[M+H-H2O]+ 215.15482 148.6
[M+HCOO]- 277.15576 173.9
[M+CH3COO]- 291.17141 190.4
[M+Na-2H]- 253.13223 155.5
[M]+ 232.15701 154.8
[M]- 232.15811 154.8
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.