CID 12662864

N-methyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C7H8N4
SMILES
CNC1=NC=NC2=C1C=CN2
InChI
InChI=1S/C7H8N4/c1-8-6-5-2-3-9-7(5)11-4-10-6/h2-4H,1H3,(H2,8,9,10,11)
InChIKey
AXWBJJJQRJBTMI-UHFFFAOYSA-N
Compound name
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

134
Patents

148.07489 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.082166 126.9
[M+Na]+ 171.064108 137.5
[M-H]- 147.067614 127.0
[M+NH4]+ 166.108713 146.4
[M+K]+ 187.038048 133.8
[M+H-H2O]+ 131.072150 119.4
[M+HCOO]- 193.073091 150.0
[M+CH3COO]- 207.088741 140.6
[M+Na-2H]- 169.049556 137.2
[M]+ 148.07434142 126.6
[M]- 148.07543858 126.6
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