CID 9810

396-59-8

Structural Information

Molecular Formula
C16H20FN3
SMILES
CN(C)CCN(CC1=CC=C(C=C1)F)C2=CC=CC=N2
InChI
InChI=1S/C16H20FN3/c1-19(2)11-12-20(16-5-3-4-10-18-16)13-14-6-8-15(17)9-7-14/h3-10H,11-13H2,1-2H3
InChIKey
VKMKSMCOLOJDJQ-UHFFFAOYSA-N
Compound name
N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.16412 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.17140 164.4
[M+Na]+ 296.15334 169.6
[M-H]- 272.15684 170.5
[M+NH4]+ 291.19794 179.6
[M+K]+ 312.12728 167.2
[M+H-H2O]+ 256.16138 153.6
[M+HCOO]- 318.16232 188.7
[M+CH3COO]- 332.17797 211.1
[M+Na-2H]- 294.13879 169.4
[M]+ 273.16357 165.1
[M]- 273.16467 165.1
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