CID 135484752

2-amino-6-[2-(2-chlorophenyl)ethyl]-3-hydropyrrolo[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C14H13ClN4O
SMILES
C1=CC=C(C(=C1)CCC2=CC3=C(N2)N=C(NC3=O)N)Cl
InChI
InChI=1S/C14H13ClN4O/c15-11-4-2-1-3-8(11)5-6-9-7-10-12(17-9)18-14(16)19-13(10)20/h1-4,7H,5-6H2,(H4,16,17,18,19,20)
InChIKey
LHSMZXWRHDZGEB-UHFFFAOYSA-N
Compound name
2-amino-6-[2-(2-chlorophenyl)ethyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0778 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08508 163.8
[M+Na]+ 311.06702 175.7
[M-H]- 287.07052 165.5
[M+NH4]+ 306.11162 177.7
[M+K]+ 327.04096 166.8
[M+H-H2O]+ 271.07506 155.7
[M+HCOO]- 333.07600 179.3
[M+CH3COO]- 347.09165 174.9
[M+Na-2H]- 309.05247 168.4
[M]+ 288.07725 164.6
[M]- 288.07835 164.6
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

No patent data available for this compound.