CID 204215

15935-70-3

Structural Information

Molecular Formula
C13H13Cl2N3
SMILES
C1=CC(=C(C=C1CCNC2=C(C=NC=C2)N)Cl)Cl
InChI
InChI=1S/C13H13Cl2N3/c14-10-2-1-9(7-11(10)15)3-6-18-13-4-5-17-8-12(13)16/h1-2,4-5,7-8H,3,6,16H2,(H,17,18)
InChIKey
ICVDDNTXPGKGGI-UHFFFAOYSA-N
Compound name
4-N-[2-(3,4-dichlorophenyl)ethyl]pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.04865 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.05593 161.8
[M+Na]+ 304.03787 171.0
[M-H]- 280.04137 165.9
[M+NH4]+ 299.08247 177.1
[M+K]+ 320.01181 163.6
[M+H-H2O]+ 264.04591 154.8
[M+HCOO]- 326.04685 176.7
[M+CH3COO]- 340.06250 173.0
[M+Na-2H]- 302.02332 166.5
[M]+ 281.04810 163.2
[M]- 281.04920 163.2
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.