CID 23006

Wy 5256

Structural Information

Molecular Formula
C19H23N7O3
SMILES
COCCNC1=NC2=NC(=NC(=C2N=C1C(=O)NCCOC)N)C3=CC=CC=C3
InChI
InChI=1S/C19H23N7O3/c1-28-10-8-21-17-14(19(27)22-9-11-29-2)23-13-15(20)24-16(25-18(13)26-17)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,22,27)(H3,20,21,24,25,26)
InChIKey
XJDALFQCSYEWSB-UHFFFAOYSA-N
Compound name
4-amino-N-(2-methoxyethyl)-7-(2-methoxyethylamino)-2-phenylpteridine-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.18625 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19353 194.2
[M+Na]+ 420.17547 200.5
[M-H]- 396.17897 196.2
[M+NH4]+ 415.22007 199.6
[M+K]+ 436.14941 195.4
[M+H-H2O]+ 380.18351 182.0
[M+HCOO]- 442.18445 213.3
[M+CH3COO]- 456.20010 230.9
[M+Na-2H]- 418.16092 200.4
[M]+ 397.18570 197.0
[M]- 397.18680 197.0
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.