CID 493738

4-amino-6-bromo-7-(1-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide

Structural Information

Molecular Formula
C15H14BrN5O
SMILES
CC(C1=CC=CC=C1)N2C(=C(C3=C(N=CN=C32)N)C(=O)N)Br
InChI
InChI=1S/C15H14BrN5O/c1-8(9-5-3-2-4-6-9)21-12(16)10(14(18)22)11-13(17)19-7-20-15(11)21/h2-8H,1H3,(H2,18,22)(H2,17,19,20)
InChIKey
BKIOXFNIYOAFRT-UHFFFAOYSA-N
Compound name
4-amino-6-bromo-7-(1-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.03818 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.04546 173.5
[M+Na]+ 382.02740 185.6
[M-H]- 358.03090 180.2
[M+NH4]+ 377.07200 188.0
[M+K]+ 398.00134 172.6
[M+H-H2O]+ 342.03544 170.4
[M+HCOO]- 404.03638 192.4
[M+CH3COO]- 418.05203 185.9
[M+Na-2H]- 380.01285 177.4
[M]+ 359.03763 191.8
[M]- 359.03873 191.8
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

No patent data available for this compound.