CID 95122

Wrair-zb

Structural Information

Molecular Formula
C13H13N7
SMILES
CC1=CC=CC=C1C2=NC3=C(N=C(N=C3N=C2N)N)N
InChI
InChI=1S/C13H13N7/c1-6-4-2-3-5-7(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
GXCOXYQKWSWCGG-UHFFFAOYSA-N
Compound name
6-(2-methylphenyl)pteridine-2,4,7-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
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

patents stripe