CID 489914

4-amino-7-[(1s,3r)-3-(hydroxymethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide

Structural Information

Molecular Formula
C13H17N5O2
SMILES
C1C[C@@H](C[C@@H]1CO)N2C=C(C3=C(N=CN=C32)N)C(=O)N
InChI
InChI=1S/C13H17N5O2/c14-11-10-9(12(15)20)4-18(13(10)17-6-16-11)8-2-1-7(3-8)5-19/h4,6-8,19H,1-3,5H2,(H2,15,20)(H2,14,16,17)/t7-,8+/m1/s1
InChIKey
STOAQOOQTMNXEI-SFYZADRCSA-N
Compound name
4-amino-7-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.1382 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14548 160.9
[M+Na]+ 298.12742 169.2
[M-H]- 274.13092 163.8
[M+NH4]+ 293.17202 176.1
[M+K]+ 314.10136 164.9
[M+H-H2O]+ 258.13546 152.7
[M+HCOO]- 320.13640 180.6
[M+CH3COO]- 334.15205 171.7
[M+Na-2H]- 296.11287 161.2
[M]+ 275.13765 158.4
[M]- 275.13875 158.4
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.