CID 467762

6,7-bis(2-methylpropyl)pteridine-2,4-diamine

Structural Information

Molecular Formula
C14H22N6
SMILES
CC(C)CC1=C(N=C2C(=N1)C(=NC(=N2)N)N)CC(C)C
InChI
InChI=1S/C14H22N6/c1-7(2)5-9-10(6-8(3)4)18-13-11(17-9)12(15)19-14(16)20-13/h7-8H,5-6H2,1-4H3,(H4,15,16,18,19,20)
InChIKey
HZNATNZFTYAVNW-UHFFFAOYSA-N
Compound name
6,7-bis(2-methylpropyl)pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.19058 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.19786 171.2
[M+Na]+ 297.17980 179.7
[M-H]- 273.18330 170.0
[M+NH4]+ 292.22440 182.8
[M+K]+ 313.15374 175.0
[M+H-H2O]+ 257.18784 161.9
[M+HCOO]- 319.18878 187.4
[M+CH3COO]- 333.20443 210.1
[M+Na-2H]- 295.16525 173.7
[M]+ 274.19003 170.8
[M]- 274.19113 170.8
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.