CID 7552

Phedrazine

Structural Information

Molecular Formula
C13H18N2O3
SMILES
COC1=CC(=CC(=C1OC)OC)CC2=NCCN2
InChI
InChI=1S/C13H18N2O3/c1-16-10-6-9(8-12-14-4-5-15-12)7-11(17-2)13(10)18-3/h6-7H,4-5,8H2,1-3H3,(H,14,15)
InChIKey
XJNCXQWJMJWBEJ-UHFFFAOYSA-N
Compound name
2-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

250.13174 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 157.8
[M+Na]+ 273.12096 169.6
[M+NH4]+ 268.16556 164.4
[M+K]+ 289.09490 165.7
[M-H]- 249.12446 159.2
[M+Na-2H]- 271.10641 163.3
[M]+ 250.13119 159.7
[M]- 250.13229 159.7
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