CID 467764

6,7-dipentylpteridine-2,4-diamine

Structural Information

Molecular Formula
C16H26N6
SMILES
CCCCCC1=C(N=C2C(=N1)C(=NC(=N2)N)N)CCCCC
InChI
InChI=1S/C16H26N6/c1-3-5-7-9-11-12(10-8-6-4-2)20-15-13(19-11)14(17)21-16(18)22-15/h3-10H2,1-2H3,(H4,17,18,20,21,22)
InChIKey
JQMCOPNZABNFRK-UHFFFAOYSA-N
Compound name
6,7-dipentylpteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.2219 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.22918 179.0
[M+Na]+ 325.21112 187.1
[M-H]- 301.21462 177.2
[M+NH4]+ 320.25572 189.6
[M+K]+ 341.18506 180.9
[M+H-H2O]+ 285.21916 168.9
[M+HCOO]- 347.22010 196.5
[M+CH3COO]- 361.23575 214.1
[M+Na-2H]- 323.19657 182.8
[M]+ 302.22135 180.5
[M]- 302.22245 180.5
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.