CID 3062742

98836-46-5

Structural Information

Molecular Formula
C15H21N3
SMILES
CCC(CN(C)C)(C1=CC=CC=C1)N2C=CN=C2
InChI
InChI=1S/C15H21N3/c1-4-15(12-17(2)3,18-11-10-16-13-18)14-8-6-5-7-9-14/h5-11,13H,4,12H2,1-3H3
InChIKey
LFUFQWXATQRIBZ-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-N,N-dimethyl-2-phenylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

243.17355 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.180826 158.7
[M+Na]+ 266.162768 164.5
[M-H]- 242.166274 163.8
[M+NH4]+ 261.207373 175.4
[M+K]+ 282.136708 162.1
[M+H-H2O]+ 226.170810 149.6
[M+HCOO]- 288.171751 180.9
[M+CH3COO]- 302.187401 199.0
[M+Na-2H]- 264.148216 164.2
[M]+ 243.17300142 160.0
[M]- 243.17409858 160.0
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

patents stripe