CID 4719781

[(3,4-dichlorophenyl)methyl](pyridin-2-ylmethyl)amine

Structural Information

Molecular Formula
C13H12Cl2N2
SMILES
C1=CC=NC(=C1)CNCC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H12Cl2N2/c14-12-5-4-10(7-13(12)15)8-16-9-11-3-1-2-6-17-11/h1-7,16H,8-9H2
InChIKey
DJSKSKCQEQMUQF-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-N-(pyridin-2-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

266.03775 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04503 156.4
[M+Na]+ 289.02697 165.5
[M-H]- 265.03047 160.7
[M+NH4]+ 284.07157 172.6
[M+K]+ 305.00091 158.5
[M+H-H2O]+ 249.03501 149.3
[M+HCOO]- 311.03595 170.8
[M+CH3COO]- 325.05160 168.1
[M+Na-2H]- 287.01242 162.5
[M]+ 266.03720 158.9
[M]- 266.03830 158.9
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.