CID 493733

Chembl171941

Structural Information

Molecular Formula
C15H15N5O2
SMILES
COC1=CC=C(C=C1)CN2C=C(C3=C(N=CN=C32)N)C(=O)N
InChI
InChI=1S/C15H15N5O2/c1-22-10-4-2-9(3-5-10)6-20-7-11(14(17)21)12-13(16)18-8-19-15(12)20/h2-5,7-8H,6H2,1H3,(H2,17,21)(H2,16,18,19)
InChIKey
CCMOYSOSXLWXFL-UHFFFAOYSA-N
Compound name
4-amino-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

297.1226 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12988 167.6
[M+Na]+ 320.11182 177.7
[M-H]- 296.11532 171.9
[M+NH4]+ 315.15642 180.8
[M+K]+ 336.08576 172.7
[M+H-H2O]+ 280.11986 158.0
[M+HCOO]- 342.12080 190.0
[M+CH3COO]- 356.13645 178.9
[M+Na-2H]- 318.09727 171.7
[M]+ 297.12205 169.4
[M]- 297.12315 169.4
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.