CID 459837

N4-[5-(diethylamino)pentyl]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C13H25N5
SMILES
CCN(CC)CCCCCNC1=NC(=NC=C1)N
InChI
InChI=1S/C13H25N5/c1-3-18(4-2)11-7-5-6-9-15-12-8-10-16-13(14)17-12/h8,10H,3-7,9,11H2,1-2H3,(H3,14,15,16,17)
InChIKey
OTIZKVSEIHLZBL-UHFFFAOYSA-N
Compound name
4-N-[5-(diethylamino)pentyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

251.211 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.21828 162.2
[M+Na]+ 274.20022 166.5
[M-H]- 250.20372 163.3
[M+NH4]+ 269.24482 176.3
[M+K]+ 290.17416 164.2
[M+H-H2O]+ 234.20826 152.6
[M+HCOO]- 296.20920 185.8
[M+CH3COO]- 310.22485 207.5
[M+Na-2H]- 272.18567 167.1
[M]+ 251.21045 163.0
[M]- 251.21155 163.0
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