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]+ 220.18083 156.3
[M+Na]+ 242.16277 162.5
[M-H]- 218.16627 154.4
[M+NH4]+ 237.20737 171.2
[M+K]+ 258.13671 158.2
[M+H-H2O]+ 202.17081 148.2
[M+HCOO]- 264.17175 169.4
[M+CH3COO]- 278.18740 187.9
[M+Na-2H]- 240.14822 162.9
[M]+ 219.17300 153.0
[M]- 219.17410 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.