CID 470028

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

Structural Information

Molecular Formula
C10H12BrN5O3
SMILES
C1=NC(=C2C(=C(N(C2=N1)COCCO)Br)C(=O)N)N
InChI
InChI=1S/C10H12BrN5O3/c11-7-5(9(13)18)6-8(12)14-3-15-10(6)16(7)4-19-2-1-17/h3,17H,1-2,4H2,(H2,13,18)(H2,12,14,15)
InChIKey
PGVVICRJXXOYCS-UHFFFAOYSA-N
Compound name
4-amino-6-bromo-7-(2-hydroxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.01236 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.01964 160.1
[M+Na]+ 352.00158 172.6
[M-H]- 328.00508 162.5
[M+NH4]+ 347.04618 175.4
[M+K]+ 367.97552 160.5
[M+H-H2O]+ 312.00962 157.4
[M+HCOO]- 374.01056 179.0
[M+CH3COO]- 388.02621 206.2
[M+Na-2H]- 349.98703 165.1
[M]+ 329.01181 180.2
[M]- 329.01291 180.2
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.