CID 341273

1ot1cem2li

Structural Information

Molecular Formula
C17H23N5
SMILES
CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)N3CCCCC3
InChI
InChI=1S/C17H23N5/c1-2-14-15(16(18)21-17(19)20-14)12-6-8-13(9-7-12)22-10-4-3-5-11-22/h6-9H,2-5,10-11H2,1H3,(H4,18,19,20,21)
InChIKey
HFTMADBRHXOVCD-UHFFFAOYSA-N
Compound name
6-ethyl-5-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

297.19534 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.20262 174.7
[M+Na]+ 320.18456 180.5
[M-H]- 296.18806 179.0
[M+NH4]+ 315.22916 184.6
[M+K]+ 336.15850 174.0
[M+H-H2O]+ 280.19260 163.4
[M+HCOO]- 342.19354 191.8
[M+CH3COO]- 356.20919 183.4
[M+Na-2H]- 318.17001 176.8
[M]+ 297.19479 167.8
[M]- 297.19589 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.