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]+ 267.045026 156.4
[M+Na]+ 289.026968 165.5
[M-H]- 265.030474 160.7
[M+NH4]+ 284.071573 172.6
[M+K]+ 305.000908 158.5
[M+H-H2O]+ 249.035010 149.3
[M+HCOO]- 311.035951 170.8
[M+CH3COO]- 325.051601 168.1
[M+Na-2H]- 287.012416 162.5
[M]+ 266.03720142 158.9
[M]- 266.03829858 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

literature stripe

Patent stripe

patents stripe