CID 227595

6-(3-methylphenyl)pteridine-2,4,7-triamine

Structural Information

Molecular Formula
C13H13N7
SMILES
CC1=CC(=CC=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N
InChI
InChI=1S/C13H13N7/c1-6-3-2-4-7(5-6)8-10(14)18-12-9(17-8)11(15)19-13(16)20-12/h2-5H,1H3,(H6,14,15,16,18,19,20)
InChIKey
YCKFHKBIDNIARX-UHFFFAOYSA-N
Compound name
6-(3-methylphenyl)pteridine-2,4,7-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

267.12323 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13051 164.9
[M+Na]+ 290.11245 175.9
[M-H]- 266.11595 167.4
[M+NH4]+ 285.15705 176.0
[M+K]+ 306.08639 169.1
[M+H-H2O]+ 250.12049 154.8
[M+HCOO]- 312.12143 185.2
[M+CH3COO]- 326.13708 175.4
[M+Na-2H]- 288.09790 171.8
[M]+ 267.12268 161.8
[M]- 267.12378 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.