CID 16227091

(3,5-dimethoxyphenyl)(1-methyl-1h-imidazol-2-yl)methanamine

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CN1C=CN=C1C(C2=CC(=CC(=C2)OC)OC)N
InChI
InChI=1S/C13H17N3O2/c1-16-5-4-15-13(16)12(14)9-6-10(17-2)8-11(7-9)18-3/h4-8,12H,14H2,1-3H3
InChIKey
BCTNOSQPAZUHMI-UHFFFAOYSA-N
Compound name
(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.13208 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13936 156.1
[M+Na]+ 270.12130 164.5
[M-H]- 246.12480 160.5
[M+NH4]+ 265.16590 172.3
[M+K]+ 286.09524 162.0
[M+H-H2O]+ 230.12934 147.6
[M+HCOO]- 292.13028 178.9
[M+CH3COO]- 306.14593 196.9
[M+Na-2H]- 268.10675 158.3
[M]+ 247.13153 158.4
[M]- 247.13263 158.4
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.