CID 3069545

Brn 4503427

Structural Information

Molecular Formula
C18H26N4
SMILES
CN1CCCCC1=NC2=CC(=CC=C2)N=C3CCCCN3C
InChI
InChI=1S/C18H26N4/c1-21-12-5-3-10-17(21)19-15-8-7-9-16(14-15)20-18-11-4-6-13-22(18)2/h7-9,14H,3-6,10-13H2,1-2H3
InChIKey
ATXUUXFGTKCELS-UHFFFAOYSA-N
Compound name
1-methyl-N-[3-[(1-methylpiperidin-2-ylidene)amino]phenyl]piperidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.21576 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.223036 174.7
[M+Na]+ 321.204978 177.3
[M-H]- 297.208484 182.3
[M+NH4]+ 316.249583 187.2
[M+K]+ 337.178918 173.0
[M+H-H2O]+ 281.213020 162.9
[M+HCOO]- 343.213961 193.1
[M+CH3COO]- 357.229611 212.7
[M+Na-2H]- 319.190426 176.6
[M]+ 298.21521142 166.8
[M]- 298.21630858 166.8
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.