CID 135449330

Idralfidine

Structural Information

Molecular Formula
C11H14N4O
SMILES
CC1=C(C=CC(=C1)O)/C=N/NC2=NCCN2
InChI
InChI=1S/C11H14N4O/c1-8-6-10(16)3-2-9(8)7-14-15-11-12-4-5-13-11/h2-3,6-7,16H,4-5H2,1H3,(H2,12,13,15)/b14-7+
InChIKey
DBFDJRMPJGXVPU-VGOFMYFVSA-N
Compound name
4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

218.11676 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.124036 147.7
[M+Na]+ 241.105978 154.6
[M-H]- 217.109484 150.7
[M+NH4]+ 236.150583 164.1
[M+K]+ 257.079918 150.4
[M+H-H2O]+ 201.114020 139.2
[M+HCOO]- 263.114961 170.9
[M+CH3COO]- 277.130611 188.1
[M+Na-2H]- 239.091426 153.0
[M]+ 218.11621142 144.2
[M]- 218.11730858 144.2
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.