CID 9810

P-fluorotripelennamine

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

5
Patents

273.16412 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.171396 164.4
[M+Na]+ 296.153338 169.6
[M-H]- 272.156844 170.5
[M+NH4]+ 291.197943 179.6
[M+K]+ 312.127278 167.2
[M+H-H2O]+ 256.161380 153.6
[M+HCOO]- 318.162321 188.7
[M+CH3COO]- 332.177971 211.1
[M+Na-2H]- 294.138786 169.4
[M]+ 273.16357142 165.1
[M]- 273.16466858 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