CID 462138

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

Structural Information

Molecular Formula
C23H27N7
SMILES
CCCCCCC1=CC2=CC=CC=C2C=C1NCC3=CN=C4C(=N3)C(=NC(=N4)N)N
InChI
InChI=1S/C23H27N7/c1-2-3-4-5-10-17-11-15-8-6-7-9-16(15)12-19(17)26-13-18-14-27-22-20(28-18)21(24)29-23(25)30-22/h6-9,11-12,14,26H,2-5,10,13H2,1H3,(H4,24,25,27,29,30)
InChIKey
YWFXQQKBKPLQLZ-UHFFFAOYSA-N
Compound name
6-[[(3-hexylnaphthalen-2-yl)amino]methyl]pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.2328 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.24008 200.6
[M+Na]+ 424.22202 209.0
[M-H]- 400.22552 203.0
[M+NH4]+ 419.26662 207.1
[M+K]+ 440.19596 199.7
[M+H-H2O]+ 384.23006 188.1
[M+HCOO]- 446.23100 218.8
[M+CH3COO]- 460.24665 207.9
[M+Na-2H]- 422.20747 207.9
[M]+ 401.23225 201.6
[M]- 401.23335 201.6
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.