CID 49605

1,2-diphenyl-3-(2-(2,6-xylyloxy)ethyl)guanidine

Structural Information

Molecular Formula
C23H25N3O
SMILES
CC1=C(C(=CC=C1)C)OCCN=C(NC2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C23H25N3O/c1-18-10-9-11-19(2)22(18)27-17-16-24-23(25-20-12-5-3-6-13-20)26-21-14-7-4-8-15-21/h3-15H,16-17H2,1-2H3,(H2,24,25,26)
InChIKey
LJDKZDAWBJXDPJ-UHFFFAOYSA-N
Compound name
2-[2-(2,6-dimethylphenoxy)ethyl]-1,3-diphenylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.19977 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.20705 188.3
[M+Na]+ 382.18899 191.9
[M-H]- 358.19249 198.4
[M+NH4]+ 377.23359 200.0
[M+K]+ 398.16293 186.8
[M+H-H2O]+ 342.19703 177.3
[M+HCOO]- 404.19797 214.7
[M+CH3COO]- 418.21362 224.6
[M+Na-2H]- 380.17444 193.1
[M]+ 359.19922 188.1
[M]- 359.20032 188.1
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.