CID 16228812

2-phenyl-5h,6h,7h,8h-pyrido[4,3-d]pyrimidine hydrochloride

Structural Information

Molecular Formula
C13H13N3
SMILES
C1CNCC2=CN=C(N=C21)C3=CC=CC=C3
InChI
InChI=1S/C13H13N3/c1-2-4-10(5-3-1)13-15-9-11-8-14-7-6-12(11)16-13/h1-5,9,14H,6-8H2
InChIKey
UFXPHMAQBXJORN-UHFFFAOYSA-N
Compound name
2-phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

211.11095 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.11823 147.4
[M+Na]+ 234.10017 154.4
[M-H]- 210.10367 148.8
[M+NH4]+ 229.14477 161.8
[M+K]+ 250.07411 148.6
[M+H-H2O]+ 194.10821 137.6
[M+HCOO]- 256.10915 163.4
[M+CH3COO]- 270.12480 158.0
[M+Na-2H]- 232.08562 156.1
[M]+ 211.11040 142.0
[M]- 211.11150 142.0
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.