CID 78154

4429-97-4

Structural Information

Molecular Formula
C14H22N2
SMILES
C1CCCCCC2=NC=NC=C2CCCC1
InChI
InChI=1S/C14H22N2/c1-2-4-6-8-10-14-13(9-7-5-3-1)11-15-12-16-14/h11-12H,1-10H2
InChIKey
CXLMQNDFKHWBOQ-UHFFFAOYSA-N
Compound name
5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

6
Patents

218.1783 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 149.6
[M+Na]+ 241.16752 152.9
[M-H]- 217.17102 147.5
[M+NH4]+ 236.21212 162.9
[M+K]+ 257.14146 150.7
[M+H-H2O]+ 201.17556 144.0
[M+HCOO]- 263.17650 164.1
[M+CH3COO]- 277.19215 158.5
[M+Na-2H]- 239.15297 154.7
[M]+ 218.17775 139.6
[M]- 218.17885 139.6
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