CID 817493

7-(4-methylphenyl)pteridine

Structural Information

Molecular Formula
C13H10N4
SMILES
CC1=CC=C(C=C1)C2=NC3=NC=NC=C3N=C2
InChI
InChI=1S/C13H10N4/c1-9-2-4-10(5-3-9)11-7-15-12-6-14-8-16-13(12)17-11/h2-8H,1H3
InChIKey
WIKGOJPAYOWLOB-UHFFFAOYSA-N
Compound name
7-(4-methylphenyl)pteridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.09055 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.097826 150.8
[M+Na]+ 245.079768 161.3
[M-H]- 221.083274 153.2
[M+NH4]+ 240.124373 164.4
[M+K]+ 261.053708 155.5
[M+H-H2O]+ 205.087810 140.2
[M+HCOO]- 267.088751 169.6
[M+CH3COO]- 281.104401 162.6
[M+Na-2H]- 243.065216 161.1
[M]+ 222.09000142 150.8
[M]- 222.09109858 150.8
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.