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

3
Patents

243.17355 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.18083 158.7
[M+Na]+ 266.16277 164.5
[M-H]- 242.16627 163.8
[M+NH4]+ 261.20737 175.4
[M+K]+ 282.13671 162.1
[M+H-H2O]+ 226.17081 149.6
[M+HCOO]- 288.17175 180.9
[M+CH3COO]- 302.18740 199.0
[M+Na-2H]- 264.14822 164.2
[M]+ 243.17300 160.0
[M]- 243.17410 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