CID 462140

6-[[(3-hexyl-2-naphthyl)-methyl-amino]methyl]pteridine-2,4-diamine

Structural Information

Molecular Formula
C24H29N7
SMILES
CCCCCCC1=CC2=CC=CC=C2C=C1N(C)CC3=CN=C4C(=N3)C(=NC(=N4)N)N
InChI
InChI=1S/C24H29N7/c1-3-4-5-6-11-18-12-16-9-7-8-10-17(16)13-20(18)31(2)15-19-14-27-23-21(28-19)22(25)29-24(26)30-23/h7-10,12-14H,3-6,11,15H2,1-2H3,(H4,25,26,27,29,30)
InChIKey
RFWQBSYKMSTZDP-UHFFFAOYSA-N
Compound name
6-[[(3-hexylnaphthalen-2-yl)-methylamino]methyl]pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.24844 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.25572 206.4
[M+Na]+ 438.23766 214.3
[M-H]- 414.24116 210.0
[M+NH4]+ 433.28226 212.8
[M+K]+ 454.21160 206.1
[M+H-H2O]+ 398.24570 193.4
[M+HCOO]- 460.24664 224.6
[M+CH3COO]- 474.26229 213.6
[M+Na-2H]- 436.22311 212.3
[M]+ 415.24789 208.8
[M]- 415.24899 208.8
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.