CID 452494

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

Structural Information

Molecular Formula
C11H13N5O2
SMILES
C1=C(C2=C(N=CN=C2N1C[C@H](CCO)O)N)C#N
InChI
InChI=1S/C11H13N5O2/c12-3-7-4-16(5-8(18)1-2-17)11-9(7)10(13)14-6-15-11/h4,6,8,17-18H,1-2,5H2,(H2,13,14,15)/t8-/m0/s1
InChIKey
AIDCJUOFUUHEHX-QMMMGPOBSA-N
Compound name
4-amino-7-[(2S)-2,4-dihydroxybutyl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.10692 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11420 154.6
[M+Na]+ 270.09614 164.8
[M-H]- 246.09964 151.7
[M+NH4]+ 265.14074 167.1
[M+K]+ 286.07008 160.3
[M+H-H2O]+ 230.10418 139.7
[M+HCOO]- 292.10512 169.6
[M+CH3COO]- 306.12077 203.0
[M+Na-2H]- 268.08159 157.8
[M]+ 247.10637 149.8
[M]- 247.10747 149.8
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.