CID 114738255

1594879-02-3

Structural Information

Molecular Formula
C12H19N3
SMILES
CC(C)CCC1=NC=C2CNCCC2=N1
InChI
InChI=1S/C12H19N3/c1-9(2)3-4-12-14-8-10-7-13-6-5-11(10)15-12/h8-9,13H,3-7H2,1-2H3
InChIKey
WSTDTQJOCGECKK-UHFFFAOYSA-N
Compound name
2-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1579 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.16518 150.2
[M+Na]+ 228.14712 156.0
[M-H]- 204.15062 148.2
[M+NH4]+ 223.19172 165.4
[M+K]+ 244.12106 152.0
[M+H-H2O]+ 188.15516 141.6
[M+HCOO]- 250.15610 164.2
[M+CH3COO]- 264.17175 186.0
[M+Na-2H]- 226.13257 155.6
[M]+ 205.15735 146.4
[M]- 205.15845 146.4
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.