CID 18334366

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

Structural Information

Molecular Formula
C7H8N4
SMILES
CC1=NC(=C2C=CNC2=N1)N
InChI
InChI=1S/C7H8N4/c1-4-10-6(8)5-2-3-9-7(5)11-4/h2-3H,1H3,(H3,8,9,10,11)
InChIKey
RZHJGZRNZNIZRM-UHFFFAOYSA-N
Compound name
2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

56
Patents

148.07489 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08217 128.0
[M+Na]+ 171.06411 139.6
[M-H]- 147.06761 128.0
[M+NH4]+ 166.10871 147.6
[M+K]+ 187.03805 135.5
[M+H-H2O]+ 131.07215 120.9
[M+HCOO]- 193.07309 150.4
[M+CH3COO]- 207.08874 141.8
[M+Na-2H]- 169.04956 136.4
[M]+ 148.07434 127.1
[M]- 148.07544 127.1
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