CID 74932

2056-20-4

Structural Information

Molecular Formula
C18H22Cl2N2
SMILES
C1=CC=C(C(=C1)CNCCCCNCC2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C18H22Cl2N2/c19-17-9-3-1-7-15(17)13-21-11-5-6-12-22-14-16-8-2-4-10-18(16)20/h1-4,7-10,21-22H,5-6,11-14H2
InChIKey
TXTDXDAQJXDQNF-UHFFFAOYSA-N
Compound name
N,N'-bis[(2-chlorophenyl)methyl]butane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.116 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12328 179.6
[M+Na]+ 359.10522 185.9
[M-H]- 335.10872 184.4
[M+NH4]+ 354.14982 194.0
[M+K]+ 375.07916 177.6
[M+H-H2O]+ 319.11326 172.4
[M+HCOO]- 381.11420 194.9
[M+CH3COO]- 395.12985 213.9
[M+Na-2H]- 357.09067 183.3
[M]+ 336.11545 183.0
[M]- 336.11655 183.0
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.