CID 60840

Aptiganel

Structural Information

Molecular Formula
C20H21N3
SMILES
CCC1=CC(=CC=C1)N(C)C(=NC2=CC=CC3=CC=CC=C32)N
InChI
InChI=1S/C20H21N3/c1-3-15-8-6-11-17(14-15)23(2)20(21)22-19-13-7-10-16-9-4-5-12-18(16)19/h4-14H,3H2,1-2H3,(H2,21,22)
InChIKey
BFNCJMURTMZBTE-UHFFFAOYSA-N
Compound name
1-(3-ethylphenyl)-1-methyl-2-naphthalen-1-ylguanidine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

65
References

3333
Patents

303.17355 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.180826 173.3
[M+Na]+ 326.162768 178.6
[M-H]- 302.166274 182.5
[M+NH4]+ 321.207373 189.1
[M+K]+ 342.136708 174.5
[M+H-H2O]+ 286.170810 163.8
[M+HCOO]- 348.171751 198.9
[M+CH3COO]- 362.187401 218.7
[M+Na-2H]- 324.148216 178.6
[M]+ 303.17300142 172.5
[M]- 303.17409858 172.5
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