CID 459842

Akos019340291

Structural Information

Molecular Formula
C11H19N5O
SMILES
C1COCCN1CCCNC2=NC(=NC=C2)N
InChI
InChI=1S/C11H19N5O/c12-11-14-4-2-10(15-11)13-3-1-5-16-6-8-17-9-7-16/h2,4H,1,3,5-9H2,(H3,12,13,14,15)
InChIKey
JFOQMIGTTYSYTA-UHFFFAOYSA-N
Compound name
4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.15897 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.16625 155.9
[M+Na]+ 260.14819 160.0
[M-H]- 236.15169 157.5
[M+NH4]+ 255.19279 166.7
[M+K]+ 276.12213 157.7
[M+H-H2O]+ 220.15623 145.3
[M+HCOO]- 282.15717 173.6
[M+CH3COO]- 296.17282 194.7
[M+Na-2H]- 258.13364 162.4
[M]+ 237.15842 151.1
[M]- 237.15952 151.1
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.