CID 459833

N4-[3-(diethylamino)propyl]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C11H21N5
SMILES
CCN(CC)CCCNC1=NC(=NC=C1)N
InChI
InChI=1S/C11H21N5/c1-3-16(4-2)9-5-7-13-10-6-8-14-11(12)15-10/h6,8H,3-5,7,9H2,1-2H3,(H3,12,13,14,15)
InChIKey
POSVOMNCXLBNHT-UHFFFAOYSA-N
Compound name
4-N-[3-(diethylamino)propyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

223.1797 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.18698 153.4
[M+Na]+ 246.16892 158.6
[M-H]- 222.17242 154.9
[M+NH4]+ 241.21352 168.7
[M+K]+ 262.14286 156.8
[M+H-H2O]+ 206.17696 144.3
[M+HCOO]- 268.17790 177.7
[M+CH3COO]- 282.19355 201.5
[M+Na-2H]- 244.15437 159.4
[M]+ 223.17915 153.5
[M]- 223.18025 153.5
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

patents stripe