CID 3057336

Wv 767

Structural Information

Molecular Formula
C18H24ClN3
SMILES
CCN(CC)CCN(CC1=CC(=CC=C1)Cl)C2=CC=CC=N2
InChI
InChI=1S/C18H24ClN3/c1-3-21(4-2)12-13-22(18-10-5-6-11-20-18)15-16-8-7-9-17(19)14-16/h5-11,14H,3-4,12-13,15H2,1-2H3
InChIKey
KNSPGPUCUJMVDS-UHFFFAOYSA-N
Compound name
N'-[(3-chlorophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.16586 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17314 177.7
[M+Na]+ 340.15508 182.7
[M-H]- 316.15858 184.5
[M+NH4]+ 335.19968 192.0
[M+K]+ 356.12902 178.4
[M+H-H2O]+ 300.16312 167.9
[M+HCOO]- 362.16406 197.7
[M+CH3COO]- 376.17971 217.9
[M+Na-2H]- 338.14053 181.6
[M]+ 317.16531 182.3
[M]- 317.16641 182.3
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