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]+ 360.207046 188.3
[M+Na]+ 382.188988 191.9
[M-H]- 358.192494 198.4
[M+NH4]+ 377.233593 200.0
[M+K]+ 398.162928 186.8
[M+H-H2O]+ 342.197030 177.3
[M+HCOO]- 404.197971 214.7
[M+CH3COO]- 418.213621 224.6
[M+Na-2H]- 380.174436 193.1
[M]+ 359.19922142 188.1
[M]- 359.20031858 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.