CID 16777398

1-(4-methoxypyrimidin-2-yl)-1,4-diazepane

Structural Information

Molecular Formula
C10H16N4O
SMILES
COC1=NC(=NC=C1)N2CCCNCC2
InChI
InChI=1S/C10H16N4O/c1-15-9-3-5-12-10(13-9)14-7-2-4-11-6-8-14/h3,5,11H,2,4,6-8H2,1H3
InChIKey
UNNMAGOIVGASDQ-UHFFFAOYSA-N
Compound name
1-(4-methoxypyrimidin-2-yl)-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.13242 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13970 146.0
[M+Na]+ 231.12164 150.6
[M-H]- 207.12514 146.3
[M+NH4]+ 226.16624 157.3
[M+K]+ 247.09558 151.6
[M+H-H2O]+ 191.12968 134.8
[M+HCOO]- 253.13062 160.3
[M+CH3COO]- 267.14627 155.4
[M+Na-2H]- 229.10709 151.5
[M]+ 208.13187 138.5
[M]- 208.13297 138.5
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.