CID 137935525

1697640-08-6

Structural Information

Molecular Formula
C13H21N3
SMILES
CC(C)(C)CCC1=NC=C2CNCCC2=N1
InChI
InChI=1S/C13H21N3/c1-13(2,3)6-4-12-15-9-10-8-14-7-5-11(10)16-12/h9,14H,4-8H2,1-3H3
InChIKey
PPOCJQGWYZNDIJ-UHFFFAOYSA-N
Compound name
2-(3,3-dimethylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.17355 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.180826 156.3
[M+Na]+ 242.162768 162.5
[M-H]- 218.166274 154.4
[M+NH4]+ 237.207373 171.2
[M+K]+ 258.136708 158.2
[M+H-H2O]+ 202.170810 148.2
[M+HCOO]- 264.171751 169.4
[M+CH3COO]- 278.187401 187.9
[M+Na-2H]- 240.148216 162.9
[M]+ 219.17300142 153.0
[M]- 219.17409858 153.0
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.