CID 385273

Nsc676384

Structural Information

Molecular Formula
C11H20N4O
SMILES
CC1C=C(NC(=N1)N)NCC2(CCC2)CO
InChI
InChI=1S/C11H20N4O/c1-8-5-9(15-10(12)14-8)13-6-11(7-16)3-2-4-11/h5,8,13,16H,2-4,6-7H2,1H3,(H3,12,14,15)
InChIKey
IHTYPNQYXHAKJA-UHFFFAOYSA-N
Compound name
[1-[[(2-amino-4-methyl-1,4-dihydropyrimidin-6-yl)amino]methyl]cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.16371 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.170986 157.1
[M+Na]+ 247.152928 160.8
[M-H]- 223.156434 157.4
[M+NH4]+ 242.197533 165.8
[M+K]+ 263.126868 160.2
[M+H-H2O]+ 207.160970 143.9
[M+HCOO]- 269.161911 173.5
[M+CH3COO]- 283.177561 192.7
[M+Na-2H]- 245.138376 160.6
[M]+ 224.16316142 159.3
[M]- 224.16425858 159.3
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.