CID 3056068

4-amino-7-(m-tolyl)pteridine

Structural Information

Molecular Formula
C13H11N5
SMILES
CC1=CC(=CC=C1)C2=CN=C3C(=NC=NC3=N2)N
InChI
InChI=1S/C13H11N5/c1-8-3-2-4-9(5-8)10-6-15-11-12(14)16-7-17-13(11)18-10/h2-7H,1H3,(H2,14,16,17,18)
InChIKey
MZPGVNRYFQINPZ-UHFFFAOYSA-N
Compound name
7-(3-methylphenyl)pteridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.10144 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10872 155.6
[M+Na]+ 260.09066 166.3
[M-H]- 236.09416 158.0
[M+NH4]+ 255.13526 168.5
[M+K]+ 276.06460 160.0
[M+H-H2O]+ 220.09870 145.2
[M+HCOO]- 282.09964 175.0
[M+CH3COO]- 296.11529 167.0
[M+Na-2H]- 258.07611 164.8
[M]+ 237.10089 154.6
[M]- 237.10199 154.6
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

patents stripe