CID 467766

6,7-dihexylpteridine-2,4-diamine

Structural Information

Molecular Formula
C18H30N6
SMILES
CCCCCCC1=C(N=C2C(=N1)C(=NC(=N2)N)N)CCCCCC
InChI
InChI=1S/C18H30N6/c1-3-5-7-9-11-13-14(12-10-8-6-4-2)22-17-15(21-13)16(19)23-18(20)24-17/h3-12H2,1-2H3,(H4,19,20,22,23,24)
InChIKey
XGISLIZXZBKADX-UHFFFAOYSA-N
Compound name
6,7-dihexylpteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.2532 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.26048 187.5
[M+Na]+ 353.24242 194.7
[M-H]- 329.24592 185.3
[M+NH4]+ 348.28702 196.9
[M+K]+ 369.21636 188.0
[M+H-H2O]+ 313.25046 176.9
[M+HCOO]- 375.25140 204.3
[M+CH3COO]- 389.26705 220.1
[M+Na-2H]- 351.22787 190.3
[M]+ 330.25265 189.6
[M]- 330.25375 189.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.