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

27
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

literature stripe

Patent stripe

patents stripe