CID 493730

Schembl7700357

Structural Information

Molecular Formula
C15H15N5O
SMILES
CC(C1=CC=CC=C1)N2C=C(C3=C(N=CN=C32)N)C(=O)N
InChI
InChI=1S/C15H15N5O/c1-9(10-5-3-2-4-6-10)20-7-11(14(17)21)12-13(16)18-8-19-15(12)20/h2-9H,1H3,(H2,17,21)(H2,16,18,19)
InChIKey
KBIJZVBLBXLYHA-UHFFFAOYSA-N
Compound name
4-amino-7-(1-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.12766 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13494 164.3
[M+Na]+ 304.11688 173.5
[M-H]- 280.12038 168.4
[M+NH4]+ 299.16148 178.0
[M+K]+ 320.09082 168.3
[M+H-H2O]+ 264.12492 154.9
[M+HCOO]- 326.12586 185.7
[M+CH3COO]- 340.14151 175.5
[M+Na-2H]- 302.10233 168.1
[M]+ 281.12711 163.8
[M]- 281.12821 163.8
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

patents stripe