CID 374131

Nsc651558

Structural Information

Molecular Formula
C11H16N4O2
SMILES
CC1=C(N(C2=NC=NC(=C12)N)COCCO)C
InChI
InChI=1S/C11H16N4O2/c1-7-8(2)15(6-17-4-3-16)11-9(7)10(12)13-5-14-11/h5,16H,3-4,6H2,1-2H3,(H2,12,13,14)
InChIKey
FZFBXJAPMOVMEH-UHFFFAOYSA-N
Compound name
2-[(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.12732 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13460 153.1
[M+Na]+ 259.11654 164.3
[M-H]- 235.12004 153.2
[M+NH4]+ 254.16114 169.5
[M+K]+ 275.09048 160.4
[M+H-H2O]+ 219.12458 145.4
[M+HCOO]- 281.12552 174.4
[M+CH3COO]- 295.14117 193.3
[M+Na-2H]- 257.10199 157.8
[M]+ 236.12677 157.1
[M]- 236.12787 157.1
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.