CID 3047742

Metrafazoline

Structural Information

Molecular Formula
C17H22N2
SMILES
CC1=CC2=C(C=C1CC3=NCCN3)C4CCC2CC4
InChI
InChI=1S/C17H22N2/c1-11-8-15-12-2-4-13(5-3-12)16(15)9-14(11)10-17-18-6-7-19-17/h8-9,12-13H,2-7,10H2,1H3,(H,18,19)
InChIKey
NNPAYYPIPSQZRT-UHFFFAOYSA-N
Compound name
2-[(5-methyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

254.1783 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18558 157.4
[M+Na]+ 277.16752 161.6
[M-H]- 253.17102 155.8
[M+NH4]+ 272.21212 177.4
[M+K]+ 293.14146 155.7
[M+H-H2O]+ 237.17556 149.2
[M+HCOO]- 299.17650 165.9
[M+CH3COO]- 313.19215 166.2
[M+Na-2H]- 275.15297 163.3
[M]+ 254.17775 155.4
[M]- 254.17885 155.4
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.