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

1
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

patents stripe