CID 462093

6-[2-(2-naphthyl)ethyl]pteridine-2,4-diamine

Structural Information

Molecular Formula
C18H16N6
SMILES
C1=CC=C2C=C(C=CC2=C1)CCC3=CN=C4C(=N3)C(=NC(=N4)N)N
InChI
InChI=1S/C18H16N6/c19-16-15-17(24-18(20)23-16)21-10-14(22-15)8-6-11-5-7-12-3-1-2-4-13(12)9-11/h1-5,7,9-10H,6,8H2,(H4,19,20,21,23,24)
InChIKey
VKKFQLUMHLFWTJ-UHFFFAOYSA-N
Compound name
6-(2-naphthalen-2-ylethyl)pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.14365 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.15093 176.3
[M+Na]+ 339.13287 187.0
[M-H]- 315.13637 179.3
[M+NH4]+ 334.17747 186.3
[M+K]+ 355.10681 178.4
[M+H-H2O]+ 299.14091 164.7
[M+HCOO]- 361.14185 195.3
[M+CH3COO]- 375.15750 186.0
[M+Na-2H]- 337.11832 186.0
[M]+ 316.14310 175.9
[M]- 316.14420 175.9
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.