CID 114146

Brn 0018963

Structural Information

Molecular Formula
C13H25N5
SMILES
CCN(CC)CCCNC1=NC(=NC(=C1C)C)N
InChI
InChI=1S/C13H25N5/c1-5-18(6-2)9-7-8-15-12-10(3)11(4)16-13(14)17-12/h5-9H2,1-4H3,(H3,14,15,16,17)
InChIKey
RNSXRXROKZTORO-UHFFFAOYSA-N
Compound name
4-N-[3-(diethylamino)propyl]-5,6-dimethylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.211 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.21828 163.9
[M+Na]+ 274.20022 170.1
[M-H]- 250.20372 165.8
[M+NH4]+ 269.24482 178.6
[M+K]+ 290.17416 167.8
[M+H-H2O]+ 234.20826 154.9
[M+HCOO]- 296.20920 187.4
[M+CH3COO]- 310.22485 209.9
[M+Na-2H]- 272.18567 167.1
[M]+ 251.21045 165.4
[M]- 251.21155 165.4
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.