CID 3062751

98836-57-8

Structural Information

Molecular Formula
C18H27N3
SMILES
CCC1=NC(=CN1C(CC)(CN(C)C)C2=CC=CC=C2)C
InChI
InChI=1S/C18H27N3/c1-6-17-19-15(3)13-21(17)18(7-2,14-20(4)5)16-11-9-8-10-12-16/h8-13H,6-7,14H2,1-5H3
InChIKey
FLNFIECJWAGPAR-UHFFFAOYSA-N
Compound name
2-(2-ethyl-4-methylimidazol-1-yl)-N,N-dimethyl-2-phenylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.2205 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.22778 172.4
[M+Na]+ 308.20972 178.7
[M-H]- 284.21322 177.7
[M+NH4]+ 303.25432 187.9
[M+K]+ 324.18366 175.5
[M+H-H2O]+ 268.21776 163.3
[M+HCOO]- 330.21870 193.5
[M+CH3COO]- 344.23435 210.2
[M+Na-2H]- 306.19517 174.8
[M]+ 285.21995 175.5
[M]- 285.22105 175.5
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.