CID 3013267

1-(4,6-dimethylpyrimidin-2-yl)-3-[2-(3-quinolyl)ethyl]guanidine

Structural Information

Molecular Formula
C18H20N6
SMILES
CC1=CC(=NC(=N1)NC(=NCCC2=CC3=CC=CC=C3N=C2)N)C
InChI
InChI=1S/C18H20N6/c1-12-9-13(2)23-18(22-12)24-17(19)20-8-7-14-10-15-5-3-4-6-16(15)21-11-14/h3-6,9-11H,7-8H2,1-2H3,(H3,19,20,22,23,24)
InChIKey
KCGYZHOFBGABKV-UHFFFAOYSA-N
Compound name
1-(4,6-dimethylpyrimidin-2-yl)-2-(2-quinolin-3-ylethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.17496 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.182236 177.9
[M+Na]+ 343.164178 185.0
[M-H]- 319.167684 182.4
[M+NH4]+ 338.208783 188.7
[M+K]+ 359.138118 179.0
[M+H-H2O]+ 303.172220 166.6
[M+HCOO]- 365.173161 199.8
[M+CH3COO]- 379.188811 187.5
[M+Na-2H]- 341.149626 185.1
[M]+ 320.17441142 177.2
[M]- 320.17550858 177.2
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

No patent data available for this compound.