CID 259669

1597-00-8

Structural Information

Molecular Formula
C14H19N5
SMILES
C1=CC=C(C=C1)CCCCC2=C(N=C(N=C2N)N)N
InChI
InChI=1S/C14H19N5/c15-12-11(13(16)19-14(17)18-12)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H6,15,16,17,18,19)
InChIKey
XDVRXWVIQZDMRG-UHFFFAOYSA-N
Compound name
5-(4-phenylbutyl)pyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.16403 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17131 161.1
[M+Na]+ 280.15325 168.2
[M-H]- 256.15675 164.1
[M+NH4]+ 275.19785 174.0
[M+K]+ 296.12719 162.6
[M+H-H2O]+ 240.16129 151.7
[M+HCOO]- 302.16223 184.1
[M+CH3COO]- 316.17788 204.2
[M+Na-2H]- 278.13870 165.5
[M]+ 257.16348 157.5
[M]- 257.16458 157.5
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.