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

10
Patents

206.11676 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.12404 146.4
[M+Na]+ 229.10598 155.7
[M-H]- 205.10948 147.5
[M+NH4]+ 224.15058 164.4
[M+K]+ 245.07992 153.0
[M+H-H2O]+ 189.11402 138.6
[M+HCOO]- 251.11496 166.3
[M+CH3COO]- 265.13061 190.6
[M+Na-2H]- 227.09143 150.7
[M]+ 206.11621 146.9
[M]- 206.11731 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