CID 3062761

Jo 1233

Structural Information

Molecular Formula
C15H20ClN3O
SMILES
CC(CN1C=CN=C1)(COC2=CC=C(C=C2)Cl)N(C)C
InChI
InChI=1S/C15H20ClN3O/c1-15(18(2)3,10-19-9-8-17-12-19)11-20-14-6-4-13(16)5-7-14/h4-9,12H,10-11H2,1-3H3
InChIKey
MMIGREKBJDEJLR-UHFFFAOYSA-N
Compound name
1-(4-chlorophenoxy)-3-imidazol-1-yl-N,N,2-trimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1295 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13678 169.4
[M+Na]+ 316.11872 176.7
[M-H]- 292.12222 174.5
[M+NH4]+ 311.16332 185.0
[M+K]+ 332.09266 172.9
[M+H-H2O]+ 276.12676 160.5
[M+HCOO]- 338.12770 186.9
[M+CH3COO]- 352.14335 205.7
[M+Na-2H]- 314.10417 173.5
[M]+ 293.12895 174.4
[M]- 293.13005 174.4
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.