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]+ 303.20671 170.8
[M+Na]+ 325.18865 173.9
[M-H]- 301.19215 180.9
[M+NH4]+ 320.23325 185.4
[M+K]+ 341.16259 172.1
[M+H-H2O]+ 285.19669 163.1
[M+HCOO]- 347.19763 194.4
[M+CH3COO]- 361.21328 205.9
[M+Na-2H]- 323.17410 173.8
[M]+ 302.19888 170.6
[M]- 302.19998 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