CID 3013275

Chembl184208

Structural Information

Molecular Formula
C15H19N5O
SMILES
CC1=C(C(=NC(=N1)NC(=NCCC2=CC=CC=C2)N)C)O
InChI
InChI=1S/C15H19N5O/c1-10-13(21)11(2)19-15(18-10)20-14(16)17-9-8-12-6-4-3-5-7-12/h3-7,21H,8-9H2,1-2H3,(H3,16,17,18,19,20)
InChIKey
QREODGVSSIAACV-UHFFFAOYSA-N
Compound name
1-(5-hydroxy-4,6-dimethylpyrimidin-2-yl)-2-(2-phenylethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.15897 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16625 168.5
[M+Na]+ 308.14819 175.1
[M-H]- 284.15169 172.5
[M+NH4]+ 303.19279 180.7
[M+K]+ 324.12213 170.6
[M+H-H2O]+ 268.15623 158.7
[M+HCOO]- 330.15717 191.8
[M+CH3COO]- 344.17282 209.3
[M+Na-2H]- 306.13364 173.2
[M]+ 285.15842 167.1
[M]- 285.15952 167.1
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

No patent data available for this compound.