CID 388644

Nsc683656

Structural Information

Molecular Formula
C18H19N5
SMILES
C1=CC=C(C=C1)CNC2=CC(=NC(=N2)N)NCC3=CC=CC=C3
InChI
InChI=1S/C18H19N5/c19-18-22-16(20-12-14-7-3-1-4-8-14)11-17(23-18)21-13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H4,19,20,21,22,23)
InChIKey
QLGPIDFUQBUOEF-UHFFFAOYSA-N
Compound name
4-N,6-N-dibenzylpyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.16403 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17131 169.9
[M+Na]+ 328.15325 175.5
[M-H]- 304.15675 176.2
[M+NH4]+ 323.19785 180.3
[M+K]+ 344.12719 168.8
[M+H-H2O]+ 288.16129 158.7
[M+HCOO]- 350.16223 194.0
[M+CH3COO]- 364.17788 179.7
[M+Na-2H]- 326.13870 178.1
[M]+ 305.16348 166.6
[M]- 305.16458 166.6
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.