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

651
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 148.4
[M+Na]+ 230.12638 158.3
[M+NH4]+ 225.17098 156.2
[M+K]+ 246.10032 152.0
[M-H]- 206.12988 152.1
[M+Na-2H]- 228.11183 155.0
[M]+ 207.13661 150.6
[M]- 207.13771 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe