CID 385197

Nsc676311

Structural Information

Molecular Formula
C18H24N4O
SMILES
C1C(CC1(CNC2=NC(=NC=C2)N)CO)CCC3=CC=CC=C3
InChI
InChI=1S/C18H24N4O/c19-17-20-9-8-16(22-17)21-12-18(13-23)10-15(11-18)7-6-14-4-2-1-3-5-14/h1-5,8-9,15,23H,6-7,10-13H2,(H3,19,20,21,22)
InChIKey
WNGMDJNBBZLYHL-UHFFFAOYSA-N
Compound name
[1-[[(2-aminopyrimidin-4-yl)amino]methyl]-3-(2-phenylethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.195 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.20228 177.6
[M+Na]+ 335.18422 181.2
[M-H]- 311.18772 181.8
[M+NH4]+ 330.22882 183.1
[M+K]+ 351.15816 179.1
[M+H-H2O]+ 295.19226 161.8
[M+HCOO]- 357.19320 196.0
[M+CH3COO]- 371.20885 210.9
[M+Na-2H]- 333.16967 181.8
[M]+ 312.19445 182.9
[M]- 312.19555 182.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.