CID 473786

2-methyl-6-(phenylsulfanylmethyl)pteridin-4-amine

Structural Information

Molecular Formula
C14H13N5S
SMILES
CC1=NC2=NC=C(N=C2C(=N1)N)CSC3=CC=CC=C3
InChI
InChI=1S/C14H13N5S/c1-9-17-13(15)12-14(18-9)16-7-10(19-12)8-20-11-5-3-2-4-6-11/h2-7H,8H2,1H3,(H2,15,16,17,18)
InChIKey
PTKUDBCRYLUPDY-UHFFFAOYSA-N
Compound name
2-methyl-6-(phenylsulfanylmethyl)pteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.08917 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09645 163.4
[M+Na]+ 306.07839 174.3
[M-H]- 282.08189 165.8
[M+NH4]+ 301.12299 175.3
[M+K]+ 322.05233 166.9
[M+H-H2O]+ 266.08643 153.8
[M+HCOO]- 328.08737 177.8
[M+CH3COO]- 342.10302 174.0
[M+Na-2H]- 304.06384 169.5
[M]+ 283.08862 165.0
[M]- 283.08972 165.0
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.