CID 463732

5-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C15H14N4
SMILES
C1=CC=C2C(=C1)C=CC=C2CC3=CN=C(N=C3N)N
InChI
InChI=1S/C15H14N4/c16-14-12(9-18-15(17)19-14)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,9H,8H2,(H4,16,17,18,19)
InChIKey
HKCKBLDMOOFVQE-UHFFFAOYSA-N
Compound name
5-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

250.12184 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12912 157.1
[M+Na]+ 273.11106 166.1
[M-H]- 249.11456 161.6
[M+NH4]+ 268.15566 171.7
[M+K]+ 289.08500 159.8
[M+H-H2O]+ 233.11910 147.8
[M+HCOO]- 295.12004 179.1
[M+CH3COO]- 309.13569 168.6
[M+Na-2H]- 271.09651 164.9
[M]+ 250.12129 154.3
[M]- 250.12239 154.3
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.