CID 122682

Abhempp

Structural Information

Molecular Formula
C9H11BrN4O2
SMILES
C1=C(C2=C(N=CN=C2N1COCCO)N)Br
InChI
InChI=1S/C9H11BrN4O2/c10-6-3-14(5-16-2-1-15)9-7(6)8(11)12-4-13-9/h3-4,15H,1-2,5H2,(H2,11,12,13)
InChIKey
RMOPBCMNPLURLP-UHFFFAOYSA-N
Compound name
2-[(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

3
Patents

286.00653 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.01381 151.0
[M+Na]+ 308.99575 164.6
[M-H]- 284.99925 153.6
[M+NH4]+ 304.04035 168.8
[M+K]+ 324.96969 152.7
[M+H-H2O]+ 269.00379 149.2
[M+HCOO]- 331.00473 170.7
[M+CH3COO]- 345.02038 195.6
[M+Na-2H]- 306.98120 158.6
[M]+ 286.00598 172.2
[M]- 286.00708 172.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe