CID 470022

4-amino-6-bromo-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C10H10BrN5O2
SMILES
C1=NC(=C2C(=C(N(C2=N1)COCCO)Br)C#N)N
InChI
InChI=1S/C10H10BrN5O2/c11-8-6(3-12)7-9(13)14-4-15-10(7)16(8)5-18-2-1-17/h4,17H,1-2,5H2,(H2,13,14,15)
InChIKey
JMXFMMAYDWHWJR-UHFFFAOYSA-N
Compound name
4-amino-6-bromo-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.0018 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.00908 152.4
[M+Na]+ 333.99102 166.9
[M-H]- 309.99452 152.4
[M+NH4]+ 329.03562 166.8
[M+K]+ 349.96496 154.6
[M+H-H2O]+ 293.99906 142.9
[M+HCOO]- 356.00000 170.0
[M+CH3COO]- 370.01565 210.6
[M+Na-2H]- 331.97647 158.1
[M]+ 311.00125 166.4
[M]- 311.00235 166.4
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.