CID 42765

Meobentine

Structural Information

Molecular Formula
C11H17N3O
SMILES
CNC(=NC)NCC1=CC=C(C=C1)OC
InChI
InChI=1S/C11H17N3O/c1-12-11(13-2)14-8-9-4-6-10(15-3)7-5-9/h4-7H,8H2,1-3H3,(H2,12,13,14)
InChIKey
SPLVKBMIQSSFFN-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]-2,3-dimethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

819
Patents

207.13716 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.14444 147.4
[M+Na]+ 230.12638 152.9
[M-H]- 206.12988 152.4
[M+NH4]+ 225.17098 166.4
[M+K]+ 246.10032 151.8
[M+H-H2O]+ 190.13442 140.0
[M+HCOO]- 252.13536 175.3
[M+CH3COO]- 266.15101 195.9
[M+Na-2H]- 228.11183 153.9
[M]+ 207.13661 147.9
[M]- 207.13771 147.9
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.