CID 3078645

2-isopropylamino-7-methyl-5,7-dihydro-6h-pyrrolo(2,3-d)pyrimidin-6-one hydrochloride

Structural Information

Molecular Formula
C10H14N4O
SMILES
CC(C)NC1=NC=C2CC(=O)N(C2=N1)C
InChI
InChI=1S/C10H14N4O/c1-6(2)12-10-11-5-7-4-8(15)14(3)9(7)13-10/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKey
VVKJVQIXUVZQFE-UHFFFAOYSA-N
Compound name
7-methyl-2-(propan-2-ylamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

206.11676 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.124036 146.4
[M+Na]+ 229.105978 155.7
[M-H]- 205.109484 147.5
[M+NH4]+ 224.150583 164.4
[M+K]+ 245.079918 153.0
[M+H-H2O]+ 189.114020 138.6
[M+HCOO]- 251.114961 166.3
[M+CH3COO]- 265.130611 190.6
[M+Na-2H]- 227.091426 150.7
[M]+ 206.11621142 146.9
[M]- 206.11730858 146.9
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

patents stripe