CID 3013276

Chembl185377

Structural Information

Molecular Formula
C16H21N5O
SMILES
CC1=C(C(=NC(=N1)NC(=NCCC2=CC=CC=C2)N)C)OC
InChI
InChI=1S/C16H21N5O/c1-11-14(22-3)12(2)20-16(19-11)21-15(17)18-10-9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H3,17,18,19,20,21)
InChIKey
RQLSIDYVMUIDQQ-UHFFFAOYSA-N
Compound name
1-(5-methoxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.17462 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.18190 172.9
[M+Na]+ 322.16384 179.4
[M-H]- 298.16734 178.1
[M+NH4]+ 317.20844 185.2
[M+K]+ 338.13778 175.5
[M+H-H2O]+ 282.17188 162.5
[M+HCOO]- 344.17282 197.4
[M+CH3COO]- 358.18847 214.6
[M+Na-2H]- 320.14929 177.5
[M]+ 299.17407 173.6
[M]- 299.17517 173.6
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.