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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.18558	150.6
[M+Na]+	241.16752	162.7
[M+NH4]+	236.21212	159.1
[M+K]+	257.14146	154.3
[M-H]-	217.17102	153.8
[M+Na-2H]-	239.15297	157.8
[M]+	218.17775	152.9
[M]-	218.17885	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe