CID 452496

9-(2,4-diohbu)-7-deazaa

Structural Information

Molecular Formula
C10H14N4O2
SMILES
C1=CN(C2=NC=NC(=C21)N)CC(CCO)O
InChI
InChI=1S/C10H14N4O2/c11-9-8-1-3-14(5-7(16)2-4-15)10(8)13-6-12-9/h1,3,6-7,15-16H,2,4-5H2,(H2,11,12,13)
InChIKey
ZOVILFAMQKJBKN-UHFFFAOYSA-N
Compound name
4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)butane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.11168 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11896 148.0
[M+Na]+ 245.10090 157.1
[M-H]- 221.10440 146.3
[M+NH4]+ 240.14550 163.6
[M+K]+ 261.07484 153.1
[M+H-H2O]+ 205.10894 140.3
[M+HCOO]- 267.10988 167.3
[M+CH3COO]- 281.12553 186.3
[M+Na-2H]- 243.08635 153.3
[M]+ 222.11113 148.5
[M]- 222.11223 148.5
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

No patent data available for this compound.