CID 6479466

Chembl3349420

Structural Information

Molecular Formula
C17H23N3O
SMILES
CCCOC1=CC=CC=C1/C(=C\CN(C)C)/N2C=CN=C2
InChI
InChI=1S/C17H23N3O/c1-4-13-21-17-8-6-5-7-15(17)16(9-11-19(2)3)20-12-10-18-14-20/h5-10,12,14H,4,11,13H2,1-3H3/b16-9+
InChIKey
SBUGMKOAYUBHKI-CXUHLZMHSA-N
Compound name
(E)-3-imidazol-1-yl-N,N-dimethyl-3-(2-propoxyphenyl)prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.1841 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 170.3
[M+Na]+ 308.17332 175.7
[M-H]- 284.17682 175.2
[M+NH4]+ 303.21792 185.2
[M+K]+ 324.14726 172.7
[M+H-H2O]+ 268.18136 160.5
[M+HCOO]- 330.18230 192.8
[M+CH3COO]- 344.19795 207.0
[M+Na-2H]- 306.15877 172.0
[M]+ 285.18355 173.2
[M]- 285.18465 173.2
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.