CID 516685

Chembl177796

Structural Information

Molecular Formula
C15H15N5
SMILES
C1=CC=C2C(=C1)C=CC=C2CNC3=CN=C(N=C3N)N
InChI
InChI=1S/C15H15N5/c16-14-13(9-19-15(17)20-14)18-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9,18H,8H2,(H4,16,17,19,20)
InChIKey
WYFMWZHKVDIVCN-UHFFFAOYSA-N
Compound name
5-N-(naphthalen-1-ylmethyl)pyrimidine-2,4,5-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

265.13275 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14003 159.2
[M+Na]+ 288.12197 167.2
[M-H]- 264.12547 163.6
[M+NH4]+ 283.16657 172.7
[M+K]+ 304.09591 161.1
[M+H-H2O]+ 248.13001 149.6
[M+HCOO]- 310.13095 182.2
[M+CH3COO]- 324.14660 170.1
[M+Na-2H]- 286.10742 167.7
[M]+ 265.13220 155.8
[M]- 265.13330 155.8
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.