CID 103778

Brn 0019723

Structural Information

Molecular Formula

C₁₈H₃₀N₂

SMILES

C1CCC2(CC1)C3CCCCC3=NC4(N2)CCCCC4

InChI

InChI=1S/C18H30N2/c1-5-11-17(12-6-1)15-9-3-4-10-16(15)19-18(20-17)13-7-2-8-14-18/h15,20H,1-14H2

InChIKey

SGXQCZNWVQHZMM-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 18
Patents: 274.2409 Da
Monoisotopic Mass: 3.6
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]+	275.248176	173.0
[M+Na]+	297.230118	173.3
[M-H]-	273.233624	174.0
[M+NH4]+	292.274723	189.7
[M+K]+	313.204058	167.6
[M+H-H2O]+	257.238160	161.4
[M+HCOO]-	319.239101	178.2
[M+CH3COO]-	333.254751	178.9
[M+Na-2H]-	295.215566	175.5
[M]+	274.24035142	156.1
[M]-	274.24144858	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe