CID 516669

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

Structural Information

Molecular Formula
C15H14N4
SMILES
C1=CC=C2C=C(C=CC2=C1)CC3=CN=C(N=C3N)N
InChI
InChI=1S/C15H14N4/c16-14-13(9-18-15(17)19-14)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9H,8H2,(H4,16,17,18,19)
InChIKey
CLEQGRGCGNZHCE-UHFFFAOYSA-N
Compound name
5-(naphthalen-2-ylmethyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
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

literature stripe

Patent stripe

patents stripe