CID 125984

Rph-2823

Structural Information

Molecular Formula
C17H22N8O2
SMILES
CN(C)CC(COC1=CC=C(C=C1)C2=NC3=C(N=C(N=C3N=C2N)N)N)O
InChI
InChI=1S/C17H22N8O2/c1-25(2)7-10(26)8-27-11-5-3-9(4-6-11)12-14(18)22-16-13(21-12)15(19)23-17(20)24-16/h3-6,10,26H,7-8H2,1-2H3,(H6,18,19,20,22,23,24)
InChIKey
DREYSFUKNSYCCL-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-[4-(2,4,7-triaminopteridin-6-yl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8
Patents

370.18658 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19386 186.9
[M+Na]+ 393.17580 197.3
[M+NH4]+ 388.22040 190.8
[M+K]+ 409.14974 193.6
[M-H]- 369.17930 190.1
[M+Na-2H]- 391.16125 191.9
[M]+ 370.18603 188.8
[M]- 370.18713 188.8
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

patents stripe