CID 6095

Wy-3654

Structural Information

Molecular Formula
C19H22N8O2
SMILES
C1COCCN1CCNC(=O)C2=NC3=C(N=C(N=C3N=C2N)C4=CC=CC=C4)N
InChI
InChI=1S/C19H22N8O2/c20-15-13-18(26-17(24-15)12-4-2-1-3-5-12)25-16(21)14(23-13)19(28)22-6-7-27-8-10-29-11-9-27/h1-5H,6-11H2,(H,22,28)(H4,20,21,24,25,26)
InChIKey
UOMKPLFUHPCEPK-UHFFFAOYSA-N
Compound name
4,7-diamino-N-(2-morpholin-4-ylethyl)-2-phenylpteridine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.18658 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19386 195.8
[M+Na]+ 417.17580 201.0
[M-H]- 393.17930 199.1
[M+NH4]+ 412.22040 197.7
[M+K]+ 433.14974 195.1
[M+H-H2O]+ 377.18384 182.2
[M+HCOO]- 439.18478 208.7
[M+CH3COO]- 453.20043 201.7
[M+Na-2H]- 415.16125 200.7
[M]+ 394.18603 190.8
[M]- 394.18713 190.8
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

No patent data available for this compound.