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]+ 255.185576 157.4
[M+Na]+ 277.167518 161.6
[M-H]- 253.171024 155.8
[M+NH4]+ 272.212123 177.4
[M+K]+ 293.141458 155.7
[M+H-H2O]+ 237.175560 149.2
[M+HCOO]- 299.176501 165.9
[M+CH3COO]- 313.192151 166.2
[M+Na-2H]- 275.152966 163.3
[M]+ 254.17775142 155.4
[M]- 254.17884858 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.