CID 77634

N,n'-bis(2-furylmethyl)-1,4-cyclohexanebis(methylamine) dihydrochloride

Structural Information

Molecular Formula
C18H26N2O2
SMILES
C1CC(CCC1CNCC2=CC=CO2)CNCC3=CC=CO3
InChI
InChI=1S/C18H26N2O2/c1-3-17(21-9-1)13-19-11-15-5-7-16(8-6-15)12-20-14-18-4-2-10-22-18/h1-4,9-10,15-16,19-20H,5-8,11-14H2
InChIKey
CJYCBHMZTJZSDO-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-1-[4-[(furan-2-ylmethylamino)methyl]cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.19943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.206706 170.8
[M+Na]+ 325.188648 173.9
[M-H]- 301.192154 180.9
[M+NH4]+ 320.233253 185.4
[M+K]+ 341.162588 172.1
[M+H-H2O]+ 285.196690 163.1
[M+HCOO]- 347.197631 194.4
[M+CH3COO]- 361.213281 205.9
[M+Na-2H]- 323.174096 173.8
[M]+ 302.19888142 170.6
[M]- 302.19997858 170.6
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

patents stripe