CID 457368

Pt323

Structural Information

Molecular Formula
C20H30N6
SMILES
C1CCC(CC1)CC2=C(N=C3C(=N2)C(=NC(=N3)N)N)CC4CCCCC4
InChI
InChI=1S/C20H30N6/c21-18-17-19(26-20(22)25-18)24-16(12-14-9-5-2-6-10-14)15(23-17)11-13-7-3-1-4-8-13/h13-14H,1-12H2,(H4,21,22,24,25,26)
InChIKey
FCSWZSXUKWOEHI-UHFFFAOYSA-N
Compound name
6,7-bis(cyclohexylmethyl)pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

354.2532 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.26048 189.9
[M+Na]+ 377.24242 192.5
[M-H]- 353.24592 192.0
[M+NH4]+ 372.28702 196.4
[M+K]+ 393.21636 185.1
[M+H-H2O]+ 337.25046 176.7
[M+HCOO]- 399.25140 199.9
[M+CH3COO]- 413.26705 195.3
[M+Na-2H]- 375.22787 190.6
[M]+ 354.25265 179.0
[M]- 354.25375 179.0
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.