CID 75215

2229-39-2

Structural Information

Molecular Formula
C19H24Cl2N2
SMILES
C1=CC=C(C(=C1)CNCCCCCNCC2=CC=CC=C2Cl)Cl
InChI
InChI=1S/C19H24Cl2N2/c20-18-10-4-2-8-16(18)14-22-12-6-1-7-13-23-15-17-9-3-5-11-19(17)21/h2-5,8-11,22-23H,1,6-7,12-15H2
InChIKey
DHNQQZSFMRWWLW-UHFFFAOYSA-N
Compound name
N,N'-bis[(2-chlorophenyl)methyl]pentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13165 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13893 184.1
[M+Na]+ 373.12087 189.9
[M-H]- 349.12437 188.7
[M+NH4]+ 368.16547 197.9
[M+K]+ 389.09481 181.4
[M+H-H2O]+ 333.12891 176.6
[M+HCOO]- 395.12985 199.0
[M+CH3COO]- 409.14550 216.8
[M+Na-2H]- 371.10632 187.2
[M]+ 350.13110 187.8
[M]- 350.13220 187.8
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.