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]+ 299.22304 174.7
[M+Na]+ 321.20498 177.3
[M-H]- 297.20848 182.3
[M+NH4]+ 316.24958 187.2
[M+K]+ 337.17892 173.0
[M+H-H2O]+ 281.21302 162.9
[M+HCOO]- 343.21396 193.1
[M+CH3COO]- 357.22961 212.7
[M+Na-2H]- 319.19043 176.6
[M]+ 298.21521 166.8
[M]- 298.21631 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.