CID 75217

2229-40-5

Structural Information

Molecular Formula
C22H30Cl2N2
SMILES
C1=CC=C(C(=C1)CNCCCCCCCCNCC2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C22H30Cl2N2/c23-21-13-7-5-11-19(21)17-25-15-9-3-1-2-4-10-16-26-18-20-12-6-8-14-22(20)24/h5-8,11-14,25-26H,1-4,9-10,15-18H2
InChIKey
XRERFYONUHMINL-UHFFFAOYSA-N
Compound name
N,N'-bis[(2-chlorophenyl)methyl]octane-1,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.17862 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.18590 197.3
[M+Na]+ 415.16784 201.8
[M-H]- 391.17134 201.3
[M+NH4]+ 410.21244 209.4
[M+K]+ 431.14178 192.6
[M+H-H2O]+ 375.17588 189.1
[M+HCOO]- 437.17682 211.1
[M+CH3COO]- 451.19247 225.5
[M+Na-2H]- 413.15329 198.8
[M]+ 392.17807 202.0
[M]- 392.17917 202.0
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.