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]+ 321.18224 177.9
[M+Na]+ 343.16418 185.0
[M-H]- 319.16768 182.4
[M+NH4]+ 338.20878 188.7
[M+K]+ 359.13812 179.0
[M+H-H2O]+ 303.17222 166.6
[M+HCOO]- 365.17316 199.8
[M+CH3COO]- 379.18881 187.5
[M+Na-2H]- 341.14963 185.1
[M]+ 320.17441 177.2
[M]- 320.17551 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.