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
2
Annotation Hits

65
References

3255
Patents

303.17355 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.18083 174.7
[M+Na]+ 326.16277 188.5
[M+NH4]+ 321.20737 184.2
[M+K]+ 342.13671 179.4
[M-H]- 302.16627 182.8
[M+Na-2H]- 324.14822 184.7
[M]+ 303.17300 179.1
[M]- 303.17410 179.1
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