CID 200357

Vufb-3442

Structural Information

Molecular Formula
C17H22FN3
SMILES
CC(C1=CC=C(C=C1)F)N(CCN(C)C)C2=CC=CC=N2
InChI
InChI=1S/C17H22FN3/c1-14(15-7-9-16(18)10-8-15)21(13-12-20(2)3)17-6-4-5-11-19-17/h4-11,14H,12-13H2,1-3H3
InChIKey
VQOHGXSNZJTSCT-UHFFFAOYSA-N
Compound name
N'-[1-(4-fluorophenyl)ethyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.17978 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.18706 169.3
[M+Na]+ 310.16900 173.8
[M-H]- 286.17250 175.4
[M+NH4]+ 305.21360 183.8
[M+K]+ 326.14294 171.7
[M+H-H2O]+ 270.17704 158.5
[M+HCOO]- 332.17798 192.3
[M+CH3COO]- 346.19363 214.9
[M+Na-2H]- 308.15445 172.6
[M]+ 287.17923 169.7
[M]- 287.18033 169.7
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.