CID 135489795

Nsc676381

Structural Information

Molecular Formula
C18H24N4O2
SMILES
C1C(CC1(CNC2=CC(=O)NC(=N2)N)CO)CCC3=CC=CC=C3
InChI
InChI=1S/C18H24N4O2/c19-17-21-15(8-16(24)22-17)20-11-18(12-23)9-14(10-18)7-6-13-4-2-1-3-5-13/h1-5,8,14,23H,6-7,9-12H2,(H4,19,20,21,22,24)
InChIKey
GWXLKPXRVUNMDN-UHFFFAOYSA-N
Compound name
2-amino-4-[[1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl]methylamino]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1899 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.19718 182.2
[M+Na]+ 351.17912 186.2
[M-H]- 327.18262 185.4
[M+NH4]+ 346.22372 186.5
[M+K]+ 367.15306 183.4
[M+H-H2O]+ 311.18716 166.6
[M+HCOO]- 373.18810 199.3
[M+CH3COO]- 387.20375 211.4
[M+Na-2H]- 349.16457 185.1
[M]+ 328.18935 186.8
[M]- 328.19045 186.8
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.