CID 510431

Chembl171101

Structural Information

Molecular Formula
C15H15N5O2
SMILES
C1=CC=C(C=C1)COCN2C=C(C3=C(N=CN=C32)N)C(=O)N
InChI
InChI=1S/C15H15N5O2/c16-13-12-11(14(17)21)6-20(15(12)19-8-18-13)9-22-7-10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H2,17,21)(H2,16,18,19)
InChIKey
GBERFVVWBRGOFO-UHFFFAOYSA-N
Compound name
4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.1226 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12988 166.2
[M+Na]+ 320.11182 175.4
[M-H]- 296.11532 170.2
[M+NH4]+ 315.15642 179.2
[M+K]+ 336.08576 170.4
[M+H-H2O]+ 280.11986 156.4
[M+HCOO]- 342.12080 188.7
[M+CH3COO]- 356.13645 177.3
[M+Na-2H]- 318.09727 171.3
[M]+ 297.12205 167.7
[M]- 297.12315 167.7
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.