CID 468713

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

Structural Information

Molecular Formula
C17H15N7
SMILES
C1=CC=C2C(=C1)C=CC(=N2)CCC3=CN=C4C(=N3)C(=NC(=N4)N)N
InChI
InChI=1S/C17H15N7/c18-15-14-16(24-17(19)23-15)20-9-12(22-14)8-7-11-6-5-10-3-1-2-4-13(10)21-11/h1-6,9H,7-8H2,(H4,18,19,20,23,24)
InChIKey
QNFYNAFYUDVDNV-UHFFFAOYSA-N
Compound name
6-(2-quinolin-2-ylethyl)pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.1389 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14618 177.1
[M+Na]+ 340.12812 188.3
[M-H]- 316.13162 178.9
[M+NH4]+ 335.17272 185.7
[M+K]+ 356.10206 179.4
[M+H-H2O]+ 300.13616 165.2
[M+HCOO]- 362.13710 195.0
[M+CH3COO]- 376.15275 186.4
[M+Na-2H]- 338.11357 187.5
[M]+ 317.13835 176.9
[M]- 317.13945 176.9
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.