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]+ 206.165176 150.2
[M+Na]+ 228.147118 156.0
[M-H]- 204.150624 148.2
[M+NH4]+ 223.191723 165.4
[M+K]+ 244.121058 152.0
[M+H-H2O]+ 188.155160 141.6
[M+HCOO]- 250.156101 164.2
[M+CH3COO]- 264.171751 186.0
[M+Na-2H]- 226.132566 155.6
[M]+ 205.15735142 146.4
[M]- 205.15844858 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.